CAS RN: 73758-64-2
CAS Name: disodium; 2-[bis(2-hydroxyethyl)amino]ethanol; [phosphonatomethyl(phosphonomethyl)amino]methylphosphonic acid
OPENEYE Name: disodium; 2-[bis(2-hydroxyethyl)amino]ethanol; [phosphonatomethyl(phosphonomethyl)amino]methylphosphonic acid
IUPAC Name: disodium; 2-[bis(2-hydroxyethyl)amino]ethanol; [phosphonatomethyl(phosphonomethyl)amino]methylphosphonic acid
SYSTEMATIC NAME: disodium; 2-[bis(2-hydroxyethyl)amino]ethanol; [phosphonatomethyl(phosphonomethyl)amino]methylphosphonic acid
MOLECULAR FORMULA: C21H55N4Na2O18P3
MOLECULAR WEIGHT: 790.578223
SMILES: C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.C(N(CP(=O)(O)O)CP(=O)([O-])[O-])P(=O)(O)O.[Na+].[Na+]
CAS RN: 74356-18-6
CAS Name: (Z,12R)-12-hydroxy-9-octadecenoic acid 2-[2-[(Z,12R)-12-hydroxy-1-oxooctadec-9-enoxy]ethoxy]ethyl ester
OPENEYE Name: 2-[2-[(Z,12R)-12-hydroxyoctadec-9-enoyl]oxyethoxy]ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
IUPAC Name: 2-[2-[(Z,12R)-12-hydroxyoctadec-9-enoyl]oxyethoxy]ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
SYSTEMATIC NAME: 2-[2-[(Z,12R)-12-oxidanyloctadec-9-enoyl]oxyethoxy]ethyl (Z,12R)-12-oxidanyloctadec-9-enoate
MOLECULAR FORMULA: C40H74O7
MOLECULAR WEIGHT: 667.01136
SMILES: CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCCOCCOC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
CAS RN: 93637-67-3
CAS Name: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(4-ethoxy-3-nitrophenyl)-1-imidazolyl]acetamide
OPENEYE Name: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methyleneamino]-2-[4-(4-ethoxy-3-nitro-phenyl)imidazol-1-yl]acetamide
IUPAC Name: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(4-ethoxy-3-nitrophenyl)imidazol-1-yl]acetamide
SYSTEMATIC NAME: N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(4-ethoxy-3-nitro-phenyl)imidazol-1-yl]ethanamide
MOLECULAR FORMULA: C24H26Cl2N6O4
MOLECULAR WEIGHT: 533.40704
SMILES: CCOC1=C(C=C(C=C1)C2=CN(C=N2)CC(=O)N/N=C/C3=CC=C(C=C3)N(CCCl)CCCl)[N+](=O)[O-]
CAS RN: 132128-73-5
CAS Name: pentyl dihydrogen phosphate; 1,3,5-triazine-2,4,6-triamine
OPENEYE Name: pentyl dihydrogen phosphate; 1,3,5-triazine-2,4,6-triamine
IUPAC Name: pentyl dihydrogen phosphate; 1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: pentyl dihydrogen phosphate; 1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C8H19N6O4P
MOLECULAR WEIGHT: 294.248021
SMILES: CCCCCOP(=O)(O)O.C1(=NC(=NC(=N1)N)N)N
CAS RN: 83949-46-6
CAS Name: ammonium 6-amino-7-sulfo-2-naphthalenesulfonate
OPENEYE Name: ammonium 6-amino-7-sulfo-naphthalene-2-sulfonate
IUPAC Name: azanium 6-amino-7-sulfonaphthalene-2-sulfonate
SYSTEMATIC NAME: azanium 6-azanyl-7-sulfo-naphthalene-2-sulfonate
MOLECULAR FORMULA: C10H12N2O6S2
MOLECULAR WEIGHT: 320.34208
SMILES: C1=CC(=CC2=CC(=C(C=C21)N)S(=O)(=O)O)S(=O)(=O)[O-].[NH4+]
CAS RN: 84803-45-2
CAS Name: nitric acid; 4,7-phenanthroline-5,6-dione
OPENEYE Name: nitric acid; 4,7-phenanthroline-5,6-dione
IUPAC Name: nitric acid; 4,7-phenanthroline-5,6-dione
SYSTEMATIC NAME: nitric acid; 4,7-phenanthroline-5,6-dione
MOLECULAR FORMULA: C12H8N4O8
MOLECULAR WEIGHT: 336.21392
SMILES: C1=CC2=C(C(=O)C(=O)C3=C2C=CC=N3)N=C1.[N+](=O)(O)[O-].[N+](=O)(O)[O-]
CAS RN: 95046-33-6
CAS Name: disodium 3-[1-[2-(2-carboxylatoethoxy)ethyl]-2-(15-methylhexadecyl)-4,5-dihydroimidazole-1,3-diium-1-yl]propanoate hydroxide
OPENEYE Name: disodium 3-[1-[2-(2-carboxylatoethoxy)ethyl]-2-(15-methylhexadecyl)-4,5-dihydroimidazole-1,3-diium-1-yl]propanoate hydroxide
IUPAC Name: disodium 3-[1-[2-(2-carboxylatoethoxy)ethyl]-2-(15-methylhexadecyl)-4,5-dihydroimidazole-1,3-diium-1-yl]propanoate hydroxide
SYSTEMATIC NAME: disodium 3-[2-(15-methylhexadecyl)-1-[2-(3-oxidanidyl-3-oxidanylidene-propoxy)ethyl]-4,5-dihydroimidazole-1,3-diium-1-yl]propanoate hydroxide
MOLECULAR FORMULA: C28H53N2Na2O6+
MOLECULAR WEIGHT: 559.70976
SMILES: CC(C)CCCCCCCCCCCCCCC1=[NH+]CC[N+]1(CCC(=O)[O-])CCOCCC(=O)[O-].[OH-].[Na+].[Na+]
CAS RN: 71832-72-9
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (3Z)-5-(ethylamino)-3-[[4-[(E)-2-[4-[(2Z)-2-[8-(ethylamino)-1-oxo-3,6-disulfo-2-naphthalenylidene]hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (3Z)-5-(ethylamino)-3-[[4-[(E)-2-[4-[(2Z)-2-[8-(ethylamino)-1-oxo-3,6-disulfo-2-naphthylidene]hydrazino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (3Z)-5-(ethylamino)-3-[[4-[(E)-2-[4-[(2Z)-2-[8-(ethylamino)-1-oxo-3,6-disulfonaphthalen-2-ylidene]hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; (3Z)-5-(ethylamino)-3-[[4-[(E)-2-[4-[(2Z)-2-[8-(ethylamino)-1-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene]hydrazinyl]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfoni
MOLECULAR FORMULA: C74H124N12O38S6
MOLECULAR WEIGHT: 1982.22396
SMILES: CCNC1=C2C(=O)/C(=N/NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N/N=C\5/C(=O)C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)NCC)S(=O)(=O)O)S(=O)(=O)O)/C(=CC2=CC(=C1)S(=O)(=O)O)S(=O)(=O)O.C(N(CCO)CCO)CO.C(N(CCO)CCO)CO.C(N(CCO)CCO)CO.C(N(CCO)CCO)CO.C(N(CCO)CCO)CO.C(N(CCO)CCO)
CAS RN: 94236-79-0
CAS Name: 2-ethyl-N-(2-ethylhexyl)-1-hexanamine; (4Z)-3-oxo-4-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
OPENEYE Name: 2-ethyl-N-(2-ethylhexyl)hexan-1-amine; (4Z)-3-oxo-4-[(4-phenylazophenyl)hydrazono]naphthalene-2,7-disulfonic acid
IUPAC Name: 2-ethyl-N-(2-ethylhexyl)hexan-1-amine; (4Z)-3-oxo-4-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 2-ethyl-N-(2-ethylhexyl)hexan-1-amine; (4Z)-3-oxidanylidene-4-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C54H86N6O7S2
MOLECULAR WEIGHT: 995.42664
SMILES: CCCCC(CC)CNCC(CC)CCCC.CCCCC(CC)CNCC(CC)CCCC.C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N/N=C\3/C4=C(C=C(C=C4)S(=O)(=O)O)C=C(C3=O)S(=O)(=O)O
CAS RN: 97467-71-5
CAS Name: 2,5-bis(4,4-dimethylpentan-2-yl)-3-(hydroxymethyl)hexanedioic acid
OPENEYE Name: 3-(hydroxymethyl)-2,5-bis(1,3,3-trimethylbutyl)hexanedioic acid
IUPAC Name: 2,5-bis(4,4-dimethylpentan-2-yl)-3-(hydroxymethyl)hexanedioic acid
SYSTEMATIC NAME: 2,5-bis(4,4-dimethylpentan-2-yl)-3-(hydroxymethyl)hexanedioic acid
MOLECULAR FORMULA: C21H40O5
MOLECULAR WEIGHT: 372.5393
SMILES: CC(CC(C)(C)C)C(CC(CO)C(C(C)CC(C)(C)C)C(=O)O)C(=O)O
CAS RN: 84852-34-6
CAS Name: lead(2+); 8-methylnonanoate
OPENEYE Name: plumbous 8-methylnonanoate
IUPAC Name: lead(2+); 8-methylnonanoate
SYSTEMATIC NAME: lead(2+); 8-methylnonanoate
MOLECULAR FORMULA: C20H38O4Pb
MOLECULAR WEIGHT: 549.71332
SMILES: CC(C)CCCCCCC(=O)[O-].CC(C)CCCCCCC(=O)[O-].[Pb+2]
CAS RN: 72639-38-4
CAS Name: sodium 2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoate
OPENEYE Name: sodium 2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoate
IUPAC Name: sodium 2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoate
SYSTEMATIC NAME: sodium 2-[[1-(2-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoate
MOLECULAR FORMULA: C17H12ClN4NaO3
MOLECULAR WEIGHT: 378.74495
SMILES: CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)[O-])C3=CC=CC=C3Cl.[Na+]
CAS RN: 81484-99-3
CAS Name: (5Z)-1,3-dimethyl-2-sulfanylidene-5-[(2E)-2-(1,5,5-trimethyl-2-pyrrolidinylidene)ethylidene]-4-imidazolidinone
OPENEYE Name: (5Z)-1,3-dimethyl-2-thioxo-5-[(2E)-2-(1,5,5-trimethylpyrrolidin-2-ylidene)ethylidene]imidazolidin-4-one
IUPAC Name: (5Z)-1,3-dimethyl-2-sulfanylidene-5-[(2E)-2-(1,5,5-trimethylpyrrolidin-2-ylidene)ethylidene]imidazolidin-4-one
SYSTEMATIC NAME: (5Z)-1,3-dimethyl-2-sulfanylidene-5-[(2E)-2-(1,5,5-trimethylpyrrolidin-2-ylidene)ethylidene]imidazolidin-4-one
MOLECULAR FORMULA: C14H21N3OS
MOLECULAR WEIGHT: 279.40104
SMILES: CC1(CC/C(=C\C=C/2\C(=O)N(C(=S)N2C)C)/N1C)C
CAS RN: 85237-46-3
CAS Name: 4-benzamido-2-chloro-5-methoxybenzenediazonium; tetrachlorozinc(2-)
OPENEYE Name: 4-benzamido-2-chloro-5-methoxy-benzenediazonium; tetrachlorozinc(2-)
IUPAC Name: 4-benzamido-2-chloro-5-methoxybenzenediazonium; tetrachlorozinc(2-)
SYSTEMATIC NAME: 4-benzamido-2-chloranyl-5-methoxy-benzenediazonium; tetrakis(chloranyl)zinc(2-)
MOLECULAR FORMULA: C28H22Cl6N6O4Zn
MOLECULAR WEIGHT: 784.63908
SMILES: COC1=C(C=C(C(=C1)[N+]#N)Cl)NC(=O)C2=CC=CC=C2.COC1=C(C=C(C(=C1)[N+]#N)Cl)NC(=O)C2=CC=CC=C2.Cl[Zn-2](Cl)(Cl)Cl
CAS RN: 93982-06-0
CAS Name: 2-hydroxyacetic acid; (1R,2S)-2-(methylamino)-1-phenyl-1-propanol
OPENEYE Name: 2-hydroxyacetic acid; (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol
IUPAC Name: 2-hydroxyacetic acid; (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
SYSTEMATIC NAME: (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol; 2-oxidanylethanoic acid
MOLECULAR FORMULA: C12H19NO4
MOLECULAR WEIGHT: 241.28356
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NC.C(C(=O)O)O
CAS RN: 94349-28-7
CAS Name: 3-[(2Z)-2-[(Z)-3-cyano-4-(1-pyrrolidinyl)-4-sulfanylidenebut-2-enylidene]-1,3-benzoxazol-3-yl]-1-propanesulfonic acid; N,N-diethylethanamine
OPENEYE Name: 3-[(2Z)-2-[(Z)-3-cyano-4-pyrrolidin-1-yl-4-thioxo-but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid; N,N-diethylethanamine
IUPAC Name: 3-[(2Z)-2-[(Z)-3-cyano-4-pyrrolidin-1-yl-4-sulfanylidenebut-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid; N,N-diethylethanamine
SYSTEMATIC NAME: 3-[(2Z)-2-[(Z)-3-cyano-4-pyrrolidin-1-yl-4-sulfanylidene-but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid; N,N-diethylethanamine
MOLECULAR FORMULA: C25H36N4O4S2
MOLECULAR WEIGHT: 520.70774
SMILES: CCN(CC)CC.C1CCN(C1)C(=S)/C(=C\C=C/2\N(C3=CC=CC=C3O2)CCCS(=O)(=O)O)/C#N
CAS RN: 73962-44-4
CAS Name: (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[ethoxy(phenyl)phosphinothioyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-amino-5-[[(1R)-2-(carboxymethylamino)-1-[[ethoxy(phenyl)phosphinothioyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-[ethoxy(phenyl)phosphinothioyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[[(2R)-3-[ethoxy(phenyl)phosphinothioyl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C18H26N3O7PS2
MOLECULAR WEIGHT: 491.518701
SMILES: CCOP(=S)(C1=CC=CC=C1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N
CAS RN: 94158-80-2
CAS Name: trisodium 7-[2-(carbamoylamino)-4-[[4-chloro-6-(4-ethenylsulfonylanilino)-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonate
OPENEYE Name: trisodium 7-[4-[[4-chloro-6-(4-vinylsulfonylanilino)-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonate
IUPAC Name: trisodium 7-[[2-(carbamoylamino)-4-[[4-chloro-6-(4-ethenylsulfonylanilino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
SYSTEMATIC NAME: trisodium 7-[[2-(aminocarbonylamino)-4-[[4-chloranyl-6-[(4-ethenylsulfonylphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
MOLECULAR FORMULA: C28H19ClN9Na3O12S4
MOLECULAR WEIGHT: 906.18587
SMILES: C=CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N=NC4=C(C=C5C=C(C=C(C5=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N.[Na+].[Na+].[Na+]
CAS RN: 73287-66-8
CAS Name: disodium 2-[[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-4-pyrazolyl]azo]-1-naphthalenesulfonate
OPENEYE Name: disodium 2-[1-(2,5-dichloro-4-sulfonato-phenyl)-3-methyl-pyrazol-4-yl]azonaphthalene-1-sulfonate
IUPAC Name: disodium 2-[[1-(2,5-dichloro-4-sulfonatophenyl)-3-methylpyrazol-4-yl]diazenyl]naphthalene-1-sulfonate
SYSTEMATIC NAME: disodium 2-[[1-[2,5-bis(chloranyl)-4-sulfonato-phenyl]-3-methyl-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate
MOLECULAR FORMULA: C20H12Cl2N4Na2O6S2
MOLECULAR WEIGHT: 585.34802
SMILES: CC1=NN(C=C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)[O-])C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]
CAS RN: 84145-13-1
CAS Name: 2-(dodecylthio)acetic acid 2-[2-(dodecylthio)-1-oxoethoxy]ethyl ester
OPENEYE Name: 2-(2-dodecylsulfanylacetyl)oxyethyl 2-dodecylsulfanylacetate
IUPAC Name: 2-(2-dodecylsulfanylacetyl)oxyethyl 2-dodecylsulfanylacetate
SYSTEMATIC NAME: 2-(2-dodecylsulfanylethanoyloxy)ethyl 2-dodecylsulfanylethanoate
MOLECULAR FORMULA: C30H58O4S2
MOLECULAR WEIGHT: 546.90912
SMILES: CCCCCCCCCCCCSCC(=O)OCCOC(=O)CSCCCCCCCCCCCC
CAS RN: 14259-55-3
CAS Name: 5-hydroxy-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
OPENEYE Name: 5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
IUPAC Name: 5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
SYSTEMATIC NAME: 7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
MOLECULAR FORMULA: C16H22O11
MOLECULAR WEIGHT: 390.33928
SMILES: C1=C(C2C(C1O)C(=COC2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
CAS RN: 15636-56-3
CAS Name: 2-nitrobenzenediazonium; tetrachlorozinc(2-)
OPENEYE Name: 2-nitrobenzenediazonium; tetrachlorozinc(2-)
IUPAC Name: 2-nitrobenzenediazonium; tetrachlorozinc(2-)
SYSTEMATIC NAME: 2-nitrobenzenediazonium; tetrakis(chloranyl)zinc(2-)
MOLECULAR FORMULA: C6H4Cl4N3O2Zn-
MOLECULAR WEIGHT: 357.33586
SMILES: C1=CC=C(C(=C1)[N+]#N)[N+](=O)[O-].Cl[Zn-2](Cl)(Cl)Cl
CAS RN: 93964-53-5
CAS Name: 2-amino-1-butanol; 16-methylheptadecanoic acid
OPENEYE Name: 2-aminobutan-1-ol; 16-methylheptadecanoic acid
IUPAC Name: 2-aminobutan-1-ol; 16-methylheptadecanoic acid
SYSTEMATIC NAME: 2-azanylbutan-1-ol; 16-methylheptadecanoic acid
MOLECULAR FORMULA: C22H47NO3
MOLECULAR WEIGHT: 373.61348
SMILES: CCC(CO)N.CC(C)CCCCCCCCCCCCCCC(=O)O
CAS RN: 93940-05-7
CAS Name: trisodium 4-hydroxy-5-[(2E)-2-[(5Z)-5-[[4-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]hydrazinylidene]-4,6-dioxo-1-cyclohex-2-enylidene]hydrazinyl]naphthalene-2,7-disulfonate
OPENEYE Name: trisodium 4-hydroxy-5-[(2E)-2-[(5Z)-5-[[4-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]hydrazono]-4,6-dioxo-cyclohex-2-en-1-ylidene]hydrazino]naphthalene-2,7-disulfonate
IUPAC Name: trisodium 4-hydroxy-5-[(2E)-2-[(5Z)-5-[[4-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-2,7-disulfonate
SYSTEMATIC NAME: trisodium 4-[(2E)-2-[(5Z)-5-[[4-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]hydrazinylidene]-4,6-bis(oxidanylidene)cyclohex-2-en-1-ylidene]hydrazinyl]-5-oxidanyl-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C37H21N6Na3O12S5
MOLECULAR WEIGHT: 970.88995
SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)N/N=C\6/C(=O)C=C/C(=N\NC7=C8C(=CC(=C7)S(=O)(=O)[O-])C=C(C=C8O)S(=O)(=O)[O-])/C6=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
CAS RN: 125328-84-9
CAS Name: (2R,3S,4R,5S,6S)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-methyloxane-3,4,5-triol
OPENEYE Name: (2R,3S,4R,5S,6S)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-methyl-tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4R,5S,6S)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-methyloxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4R,5S,6S)-2-[(5-bromanyl-4-chloranyl-1H-indol-3-yl)oxy]-6-methyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C14H15BrClNO5
MOLECULAR WEIGHT: 392.6296
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC2=CNC3=C2C(=C(C=C3)Br)Cl)O)O)O
CAS RN: 94481-69-3
CAS Name: dipotassium (2R,3R,4S,5S)-2-(2,4-dioxo-1-pyrimidinyl)-5-[[hydroxy(phosphonooxy)phosphoryl]oxy-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]methyl]oxolane-3,4-diolate
OPENEYE Name: dipotassium (2R,3R,4S,5S)-2-(2,4-dioxopyrimidin-1-yl)-5-[[hydroxy(phosphonooxy)phosphoryl]oxy-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]methyl]tetrahydrofuran-3,4-diolate
IUPAC Name: dipotassium (2R,3R,4S,5S)-2-(2,4-dioxopyrimidin-1-yl)-5-[[hydroxy(phosphonooxy)phosphoryl]oxy-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolane-3,4-diolate
SYSTEMATIC NAME: dipotassium (2R,3R,4S,5S)-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-[[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-[oxidanyl(phosphonooxy)phosphoryl]oxy-methyl]oxolane-3,4-diolate
MOLECULAR FORMULA: C15H22K2N2O17P2
MOLECULAR WEIGHT: 642.482502
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(C3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)OP(=O)(O)OP(=O)(O)O)[O-])[O-].[K+].[K+]
CAS RN: 149732-41-2
CAS Name: (Z)-7-[(1S,2S,3R,4R)-3-[(4-iodophenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1S,2S,3R,4R)-3-[(4-iodophenyl)sulfonylamino]norbornan-2-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1S,2S,3R,4R)-3-[(4-iodophenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1S,2S,3R,4R)-3-[(4-iodophenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H26INO4S
MOLECULAR WEIGHT: 503.39421
SMILES: C1C[C@@H]2C[C@H]1[C@@H]([C@@H]2NS(=O)(=O)C3=CC=C(C=C3)I)C/C=C\CCCC(=O)O
CAS RN: 71119-44-3
CAS Name: lanthanum(3+); neodymium(3+); oxygen(2-); praseodymium(3+); titanium(4+)
OPENEYE Name: lanthanum(3+); neodymium(3+); oxygen(2-); praseodymium(3+); titanium(4+)
IUPAC Name: lanthanum(3+); neodymium(3+); oxygen(2-); praseodymium(3+); titanium(4+)
SYSTEMATIC NAME: lanthanum(3+); neodymium(3+); oxygen(2-); praseodymium(3+); titanium(4+)
MOLECULAR FORMULA: La2Nd2O13Pr2Ti2
MOLECULAR WEIGHT: 1151.8325
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[La+3].[La+3].[Pr+3].[Pr+3].[Nd+3].[Nd+3]
CAS RN: 149129-24-8
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(2,4-dihydroxy-5-methyl-6-oxo-1,3-diazinan-5-yl)-2-pyrimidinone
OPENEYE Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(2,4-dihydroxy-5-methyl-6-oxo-hexahydropyrimidin-5-yl)pyrimidin-2-one
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(2,4-dihydroxy-5-methyl-6-oxo-1,3-diazinan-5-yl)pyrimidin-2-one
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-[5-methyl-2,4-bis(oxidanyl)-6-oxidanylidene-1,3-diazinan-5-yl]pyrimidin-2-one
MOLECULAR FORMULA: C14H20N4O8
MOLECULAR WEIGHT: 372.3306
SMILES: CC1(C(NC(NC1=O)O)O)C2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
CAS RN: 93918-65-1
CAS Name: acetic acid; N-[2-[2-[2-(1-oxotetradecylamino)ethylamino]ethylamino]ethyl]tetradecanamide
OPENEYE Name: acetic acid; N-[2-[2-[2-(tetradecanoylamino)ethylamino]ethylamino]ethyl]tetradecanamide
IUPAC Name: acetic acid; N-[2-[2-[2-(tetradecanoylamino)ethylamino]ethylamino]ethyl]tetradecanamide
SYSTEMATIC NAME: ethanoic acid; N-[2-[2-[2-(tetradecanoylamino)ethylamino]ethylamino]ethyl]tetradecanamide
MOLECULAR FORMULA: C36H74N4O4
MOLECULAR WEIGHT: 626.99716
SMILES: CCCCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCCCC.CC(=O)O
CAS RN: 84803-43-0
CAS Name: 16-methylheptadecanoic acid [dibutyl-[[3-(11-methyldodecoxy)-3-oxopropyl]thio]stannyl] ester
OPENEYE Name: [dibutyl-[3-(11-methyldodecoxy)-3-oxo-propyl]sulfanyl-stannyl] 16-methylheptadecanoate
IUPAC Name: [dibutyl-[3-(11-methyldodecoxy)-3-oxopropyl]sulfanylstannyl] 16-methylheptadecanoate
SYSTEMATIC NAME: [dibutyl-[3-(11-methyldodecoxy)-3-oxidanylidene-propyl]sulfanyl-stannyl] 16-methylheptadecanoate
MOLECULAR FORMULA: C42H84O4SSn
MOLECULAR WEIGHT: 803.88896
SMILES: CCCC[Sn](CCCC)(OC(=O)CCCCCCCCCCCCCCC(C)C)SCCC(=O)OCCCCCCCCCCC(C)C
CAS RN: 73545-25-2
CAS Name: 2-methyl-2-propenoic acid 2-oxiranylmethyl ester; 2-propenoic acid; 2-propenoic acid 2-methylbutyl ester
OPENEYE Name: acrylic acid; 2-methylbutyl prop-2-enoate; oxiran-2-ylmethyl 2-methylprop-2-enoate
IUPAC Name: 2-methylbutyl prop-2-enoate; oxiran-2-ylmethyl 2-methylprop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: 2-methylbutyl prop-2-enoate; oxiran-2-ylmethyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C18H28O7
MOLECULAR WEIGHT: 356.41072
SMILES: CCC(C)COC(=O)C=C.CC(=C)C(=O)OCC1CO1.C=CC(=O)O
CAS RN: 149636-89-5
CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-(methylt
OPENEYE Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-N-[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-methylsulfa
IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl
SYSTEMATIC NAME: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanyliden
MOLECULAR FORMULA: C46H66N12O9S
MOLECULAR WEIGHT: 963.15624
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N
CAS RN: 94022-54-5
CAS Name: 3-chloro-4-(dibutylamino)benzenediazonium; trichlorozinc(1-)
OPENEYE Name: 3-chloro-4-(dibutylamino)benzenediazonium; trichlorozinc(1-)
IUPAC Name: 3-chloro-4-(dibutylamino)benzenediazonium; trichlorozinc(1-)
SYSTEMATIC NAME: 3-chloranyl-4-(dibutylamino)benzenediazonium; tris(chloranyl)zinc(1-)
MOLECULAR FORMULA: C14H21Cl4N3Zn
MOLECULAR WEIGHT: 438.55764
SMILES: CCCCN(CCCC)C1=C(C=C(C=C1)[N+]#N)Cl.Cl[Zn-](Cl)Cl
CAS RN: 93963-18-9
CAS Name: N-bromo-1,1-diethoxymethanimine
OPENEYE Name: N-bromo-1,1-diethoxy-methanimine
IUPAC Name: N-bromo-1,1-diethoxymethanimine
SYSTEMATIC NAME: N-bromanyl-1,1-diethoxy-methanimine
MOLECULAR FORMULA: C5H10BrNO2
MOLECULAR WEIGHT: 196.0424
SMILES: CCOC(=NBr)OCC
CAS RN: 85168-79-2
CAS Name: benzene-1,2-dicarboxylic acid O1-(9-methyldecyl) ester O2-(7-methyloctyl) ester
OPENEYE Name: O1-(9-methyldecyl) O2-(7-methyloctyl) benzene-1,2-dicarboxylate
IUPAC Name: 1-O-(9-methyldecyl) 2-O-(7-methyloctyl) benzene-1,2-dicarboxylate
SYSTEMATIC NAME: O1-(9-methyldecyl) O2-(7-methyloctyl) benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C28H46O4
MOLECULAR WEIGHT: 446.66244
SMILES: CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C
CAS RN: 155944-59-5
CAS Name: 2-methyl-2-propenoic acid ethyl ester; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid 2-hydroxyethyl ester
OPENEYE Name: ethyl 2-methylprop-2-enoate; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate
IUPAC Name: ethyl 2-methylprop-2-enoate; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: ethyl 2-methylprop-2-enoate; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C16H26O7
MOLECULAR WEIGHT: 330.37344
SMILES: CCOC(=O)C(=C)C.CC(=C)C(=O)OC.C=CC(=O)OCCO
CAS RN: 94113-52-7
CAS Name: 3,8-dinitro-6-phenylbenzo[b][1,4]benzothiazepine 11-oxide
OPENEYE Name: 3,8-dinitro-6-phenyl-benzo[b][1,4]benzothiazepine 11-oxide
IUPAC Name: 3,8-dinitro-6-phenylbenzo[b][1,4]benzothiazepine 11-oxide
SYSTEMATIC NAME: 3,8-dinitro-6-phenyl-benzo[b][1,4]benzothiazepine 11-oxide
MOLECULAR FORMULA: C19H11N3O5S
MOLECULAR WEIGHT: 393.37274
SMILES: C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)[N+](=O)[O-])S(=O)C4=C2C=C(C=C4)[N+](=O)[O-]
CAS RN: 69856-04-8
CAS Name: 4-tert-butylbenzene-1,2-diol; 4-tert-butylphenol; formaldehyde; 4-phenylphenol
OPENEYE Name: 4-tert-butylbenzene-1,2-diol; 4-tert-butylphenol; formaldehyde; 4-phenylphenol
IUPAC Name: 4-tert-butylbenzene-1,2-diol; 4-tert-butylphenol; formaldehyde; 4-phenylphenol
SYSTEMATIC NAME: 4-tert-butylbenzene-1,2-diol; 4-tert-butylphenol; methanal; 4-phenylphenol
MOLECULAR FORMULA: C33H40O5
MOLECULAR WEIGHT: 516.6677
SMILES: CC(C)(C)C1=CC=C(C=C1)O.CC(C)(C)C1=CC(=C(C=C1)O)O.C=O.C1=CC=C(C=C1)C2=CC=C(C=C2)O
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