CAS RN: 71010-65-6
CAS Name: isobenzofuran-1,3-dione; 7-methyloctanoic acid 2,2-bis(hydroxymethyl)butyl ester
OPENEYE Name: 2,2-bis(hydroxymethyl)butyl 7-methyloctanoate; isobenzofuran-1,3-dione
IUPAC Name: 2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)butyl 7-methyloctanoate
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)butyl 7-methyloctanoate
MOLECULAR FORMULA: C23H34O7
MOLECULAR WEIGHT: 422.51186
SMILES: CCC(CO)(CO)COC(=O)CCCCCC(C)C.C1=CC=C2C(=C1)C(=O)OC2=O
CAS RN: 149982-45-6
CAS Name: acetic acid; 4-[(2E)-2-[1-[3-(dimethylamino)propyl]-4-methyl-2,6-dioxo-3-pyridinylidene]hydrazinyl]-N-[2-[[[4-[(2Z)-2-[1-[3-(dimethylamino)propyl]-4-methyl-2,6-dioxo-3-pyridinylidene]hydrazinyl]phenyl]-oxomethyl]amino]propyl]benzamide; 2-hydroxypropanoic
OPENEYE Name: acetic acid; 4-[(2E)-2-[1-[3-(dimethylamino)propyl]-4-methyl-2,6-dioxo-3-pyridylidene]hydrazino]-N-[2-[[4-[(2Z)-2-[1-[3-(dimethylamino)propyl]-4-methyl-2,6-dioxo-3-pyridylidene]hydrazino]benzoyl]amino]propyl]benzamide; 2-hydroxypropanoic acid
IUPAC Name: acetic acid; 4-[(2E)-2-[1-[3-(dimethylamino)propyl]-4-methyl-2,6-dioxopyridin-3-ylidene]hydrazinyl]-N-[2-[[4-[(2Z)-2-[1-[3-(dimethylamino)propyl]-4-methyl-2,6-dioxopyridin-3-ylidene]hydrazinyl]benzoyl]amino]propyl]benzamide; 2-hydroxypropanoic acid
SYSTEMATIC NAME: 4-[(2E)-2-[1-[3-(dimethylamino)propyl]-4-methyl-2,6-bis(oxidanylidene)pyridin-3-ylidene]hydrazinyl]-N-[2-[[4-[(2Z)-2-[1-[3-(dimethylamino)propyl]-4-methyl-2,6-bis(oxidanylidene)pyridin-3-ylidene]hydrazinyl]phenyl]carbonylamino]propyl]benzamide; ethanoic a
MOLECULAR FORMULA: C44H60N10O11
MOLECULAR WEIGHT: 905.0076
SMILES: CC\1=CC(=O)N(C(=O)/C1=N/NC2=CC=C(C=C2)C(=O)NCC(C)NC(=O)C3=CC=C(C=C3)N/N=C\4/C(=CC(=O)N(C4=O)CCCN(C)C)C)CCCN(C)C.CC(C(=O)O)O.CC(=O)O
CAS RN: 73019-12-2
CAS Name: 4-(4-acetamidoanilino)-1-amino-9,10-dioxo-2-anthracenesulfonic acid; 2-(4-morpholinyl)ethanol
OPENEYE Name: 4-(4-acetamidoanilino)-1-amino-9,10-dioxo-anthracene-2-sulfonic acid; 2-morpholinoethanol
IUPAC Name: 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid; 2-morpholin-4-ylethanol
SYSTEMATIC NAME: 4-[(4-acetamidophenyl)amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid; 2-morpholin-4-ylethanol
MOLECULAR FORMULA: C28H30N4O8S
MOLECULAR WEIGHT: 582.6248
SMILES: CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O.C1COCCN1CCO
CAS RN: 94109-38-3
CAS Name: trisodium 1-amino-9,10-dioxo-4-[3-(2-phosphonatooxyethylsulfonyl)anilino]-2-anthracenesulfonate
OPENEYE Name: trisodium 1-amino-9,10-dioxo-4-[3-(2-phosphonatooxyethylsulfonyl)anilino]anthracene-2-sulfonate
IUPAC Name: trisodium 1-amino-9,10-dioxo-4-[3-(2-phosphonatooxyethylsulfonyl)anilino]anthracene-2-sulfonate
SYSTEMATIC NAME: trisodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(2-phosphonatooxyethylsulfonyl)phenyl]amino]anthracene-2-sulfonate
MOLECULAR FORMULA: C22H16N2Na3O11PS2
MOLECULAR WEIGHT: 648.442311
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCOP(=O)([O-])[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+]
CAS RN: 94088-39-8
CAS Name: 2-(2-hydroxyethylamino)ethanol; 5-[[4-(2-hydroxyethylamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; 5-[[4-(2-hydroxyethylamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; 5-[[4-(2-hydroxyethylamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; 5-[[4-(2-hydroxyethylamino)-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C52H80N16O22S4
MOLECULAR WEIGHT: 1409.5456
SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)O)NCCO)S(=O)(=O)O)S(=O)(=O)O.C(CO)NCCO.C(CO)NCCO.C(CO)NCCO.C(CO)NCCO
CAS RN: 149608-57-1
CAS Name: N5-(3-aminopropyl)hexane-2,5-diamine
OPENEYE Name: N5-(3-aminopropyl)hexane-2,5-diamine
IUPAC Name: 5-N-(3-aminopropyl)hexane-2,5-diamine
SYSTEMATIC NAME: N5-(3-azanylpropyl)hexane-2,5-diamine
MOLECULAR FORMULA: C9H23N3
MOLECULAR WEIGHT: 173.29902
SMILES: CC(CCC(C)NCCCN)N
CAS RN: 70727-02-5
CAS Name: lead(2+); 16-methylheptadecanoate
OPENEYE Name: plumbous 16-methylheptadecanoate
IUPAC Name: lead(2+); 16-methylheptadecanoate
SYSTEMATIC NAME: lead(2+); 16-methylheptadecanoate
MOLECULAR FORMULA: C36H70O4Pb
MOLECULAR WEIGHT: 774.1386
SMILES: CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].[Pb+2]
CAS RN: 164780-85-2
CAS Name: benzene-1,4-dicarboxylic acid dimethyl ester; 2-(2-hydroxyethoxy)ethanol; 2-methylpropane-1,3-diol
OPENEYE Name: dimethyl benzene-1,4-dicarboxylate; 2-(2-hydroxyethoxy)ethanol; 2-methylpropane-1,3-diol
IUPAC Name: dimethyl benzene-1,4-dicarboxylate; 2-(2-hydroxyethoxy)ethanol; 2-methylpropane-1,3-diol
SYSTEMATIC NAME: dimethyl benzene-1,4-dicarboxylate; 2-(2-hydroxyethyloxy)ethanol; 2-methylpropane-1,3-diol
MOLECULAR FORMULA: C18H30O9
MOLECULAR WEIGHT: 390.4254
SMILES: CC(CO)CO.COC(=O)C1=CC=C(C=C1)C(=O)OC.C(COCCO)O
CAS RN: 121251-68-1
CAS Name: (1'S,4'R,6'R)-2,2,4',7',7'-pentamethylspiro[1,3-dioxane-5,5'-bicyclo[4.1.0]heptane]
OPENEYE Name: (1'R,3'R,6'S)-2,2,3',7',7'-pentamethylspiro[1,3-dioxane-5,2'-norcarane]
IUPAC Name: (1'S,4'R,6'R)-2,2,4',7',7'-pentamethylspiro[1,3-dioxane-5,5'-bicyclo[4.1.0]heptane]
SYSTEMATIC NAME: (1'S,4'R,6'R)-2,2,4',7',7'-pentamethylspiro[1,3-dioxane-5,5'-bicyclo[4.1.0]heptane]
MOLECULAR FORMULA: C15H26O2
MOLECULAR WEIGHT: 238.36574
SMILES: C[C@@H]1CC[C@H]2[C@H](C2(C)C)C13COC(OC3)(C)C
CAS RN: 83817-73-6
CAS Name: methoxy-methyl-bis(phenylmethoxy)silane
OPENEYE Name: dibenzyloxy-methoxy-methyl-silane
IUPAC Name: methoxy-methyl-bis(phenylmethoxy)silane
SYSTEMATIC NAME: methoxy-methyl-bis(phenylmethoxy)silane
MOLECULAR FORMULA: C16H20O3Si
MOLECULAR WEIGHT: 288.4137
SMILES: CO[Si](C)(OCC1=CC=CC=C1)OCC2=CC=CC=C2
CAS RN: 83221-68-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H44Li3N21O11S3
MOLECULAR WEIGHT: 1304.10066
SMILES: [Li+].[Li+].[Li+].C1=CC(=CC=C1NC2=C(C=C(C=C2)N=NC3=C(C4=C(C=C3)C(=C(C(=C4S(=O)(=O)[O-])O)N=NC5=C(C=C(C=C5)N)N)N=NC6=C(C=C(C=C6)N)N)N=NC7=C(C=C(C=C7)N)N)S(=O)(=O)[O-])N=NC8=C(C=C9C=CC(=CC9=C8O)N=NC1=C(C=C(C=C1)N)N)S(=O)(=O)[O-]
CAS RN: 83763-85-3
CAS Name: tetrasodium (3E)-7-[[[[(6Z)-6-[(4-ethoxy-3-sulfonatophenyl)hydrazinylidene]-5-oxo-7-sulfonato-2-naphthalenyl]amino]-oxomethyl]amino]-4-oxo-3-[(6-sulfonato-2-naphthalenyl)hydrazinylidene]-2-naphthalenesulfonate
OPENEYE Name: tetrasodium (3E)-7-[[(6Z)-6-[(4-ethoxy-3-sulfonato-phenyl)hydrazono]-5-oxo-7-sulfonato-2-naphthyl]carbamoylamino]-4-oxo-3-[(6-sulfonato-2-naphthyl)hydrazono]naphthalene-2-sulfonate
IUPAC Name: tetrasodium (3E)-7-[[(6Z)-6-[(4-ethoxy-3-sulfonatophenyl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]carbamoylamino]-4-oxo-3-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate
SYSTEMATIC NAME: tetrasodium (3E)-7-[[(6Z)-6-[(4-ethoxy-3-sulfonato-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfonato-naphthalen-2-yl]carbamoylamino]-4-oxidanylidene-3-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate
MOLECULAR FORMULA: C39H26N6Na4O16S4
MOLECULAR WEIGHT: 1054.87342
SMILES: CCOC1=C(C=C(C=C1)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)/C(=N\NC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)[O-])/C(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
CAS RN: 86088-80-4
CAS Name: 3-(3,3-dihydroxypropoxy)propane-1,1-diol; (Z)-9-octadecenoic acid
OPENEYE Name: 3-(3,3-dihydroxypropoxy)propane-1,1-diol; (Z)-octadec-9-enoic acid
IUPAC Name: 3-(3,3-dihydroxypropoxy)propane-1,1-diol; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: 3-[3,3-bis(oxidanyl)propoxy]propane-1,1-diol; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C54H110O19
MOLECULAR WEIGHT: 1063.4398
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.C(C(O)O)COCCC(O)O.C(C(O)O)COCCC(O)O.C(C(O)O)COCCC(O)O
CAS RN: 69882-14-0
CAS Name: 2-ethyl-1-hexanol; 1-(2-hydroxypropoxy)-2-propanol
OPENEYE Name: 2-ethylhexan-1-ol; 1-(2-hydroxypropoxy)propan-2-ol
IUPAC Name: 2-ethylhexan-1-ol; 1-(2-hydroxypropoxy)propan-2-ol
SYSTEMATIC NAME: 2-ethylhexan-1-ol; 1-(2-oxidanylpropoxy)propan-2-ol
MOLECULAR FORMULA: C14H32O4
MOLECULAR WEIGHT: 264.40148
SMILES: CCCCC(CC)CO.CC(COCC(C)O)O
CAS RN: 83221-40-3
CAS Name: N-(benzenesulfonyl)-4-[4-[4-(2-hydroxybutoxy)-2-methylphenyl]azoanilino]-3-nitrobenzenesulfonamide; lithium
OPENEYE Name: N-(benzenesulfonyl)-4-[4-[4-(2-hydroxybutoxy)-2-methyl-phenyl]azoanilino]-3-nitro-benzenesulfonamide; lithium
IUPAC Name: N-(benzenesulfonyl)-4-[4-[[4-(2-hydroxybutoxy)-2-methylphenyl]diazenyl]anilino]-3-nitrobenzenesulfonamide; lithium
SYSTEMATIC NAME: lithium; 4-[[4-[[2-methyl-4-(2-oxidanylbutoxy)phenyl]diazenyl]phenyl]amino]-3-nitro-N-(phenylsulfonyl)benzenesulfonamide
MOLECULAR FORMULA: C29H29LiN5O8S2
MOLECULAR WEIGHT: 646.64026
SMILES: [Li].CCC(COC1=CC(=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)NS(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-])C)O
CAS RN: 91119-81-2
CAS Name: 4-ethyl-6-[(1E)-1-methoxyiminoethyl]-1,4-benzothiazin-3-one
OPENEYE Name: 4-ethyl-6-[(E)-N-methoxy-C-methyl-carbonimidoyl]-1,4-benzothiazin-3-one
IUPAC Name: 4-ethyl-6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 4-ethyl-6-[(E)-N-methoxy-C-methyl-carbonimidoyl]-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C13H16N2O2S
MOLECULAR WEIGHT: 264.34334
SMILES: CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N/OC)/C
CAS RN: 83817-75-8
CAS Name: methoxy-bis(2-methoxy-4-prop-2-enylphenoxy)-methylsilane
OPENEYE Name: bis(4-allyl-2-methoxy-phenoxy)-methoxy-methyl-silane
IUPAC Name: methoxy-bis(2-methoxy-4-prop-2-enylphenoxy)-methylsilane
SYSTEMATIC NAME: methoxy-bis(2-methoxy-4-prop-2-enyl-phenoxy)-methyl-silane
MOLECULAR FORMULA: C22H28O5Si
MOLECULAR WEIGHT: 400.54022
SMILES: COC1=C(C=CC(=C1)CC=C)O[Si](C)(OC)OC2=C(C=C(C=C2)CC=C)OC
CAS RN: 93803-64-6
CAS Name: 1-tert-butyl-3-[(4-tert-butyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
OPENEYE Name: 5-tert-butyl-7-[(8-tert-butyl-7-hydroxy-tetralin-6-yl)methyl]tetralin-6-ol
IUPAC Name: 1-tert-butyl-3-[(4-tert-butyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SYSTEMATIC NAME: 1-tert-butyl-3-[(4-tert-butyl-3-oxidanyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
MOLECULAR FORMULA: C29H40O2
MOLECULAR WEIGHT: 420.6267
SMILES: CC(C)(C)C1=C2CCCCC2=CC(=C1O)CC3=C(C(=C4CCCCC4=C3)C(C)(C)C)O
CAS RN: 118208-73-4
CAS Name: N,N-dimethyl-1-phenylmethanamine; 4-ethenylphenol
OPENEYE Name: N,N-dimethyl-1-phenyl-methanamine; 4-vinylphenol
IUPAC Name: N,N-dimethyl-1-phenylmethanamine; 4-ethenylphenol
SYSTEMATIC NAME: N,N-dimethyl-1-phenyl-methanamine; 4-ethenylphenol
MOLECULAR FORMULA: C17H21NO
MOLECULAR WEIGHT: 255.35474
SMILES: CN(C)CC1=CC=CC=C1.C=CC1=CC=C(C=C1)O
CAS RN: 71113-97-8
CAS Name: (E)-2,3-dibromo-2-butene-1,4-diol; nonanedioic acid; propane-1,2,3-triol
OPENEYE Name: (E)-2,3-dibromobut-2-ene-1,4-diol; glycerol; nonanedioic acid
IUPAC Name: (E)-2,3-dibromobut-2-ene-1,4-diol; nonanedioic acid; propane-1,2,3-triol
SYSTEMATIC NAME: (E)-2,3-bis(bromanyl)but-2-ene-1,4-diol; nonanedioic acid; propane-1,2,3-triol
MOLECULAR FORMULA: C16H30Br2O9
MOLECULAR WEIGHT: 526.212
SMILES: C(CCCC(=O)O)CCCC(=O)O.C(C(CO)O)O.C(/C(=C(/CO)\Br)/Br)O
CAS RN: 83846-97-3
CAS Name: diammonium [(2R,3S,4R,5R,6R)-3-hydroxy-6-[hydroxy(oxido)phosphoryl]oxy-4,5-dioxido-2-oxanyl]methyl hydrogen phosphate
OPENEYE Name: diammonium [(2R,3S,4R,5R,6R)-3-hydroxy-6-[hydroxy(oxido)phosphoryl]oxy-4,5-dioxido-tetrahydropyran-2-yl]methyl hydrogen phosphate
IUPAC Name: diazanium [(2R,3S,4R,5R,6R)-3-hydroxy-6-[hydroxy(oxido)phosphoryl]oxy-4,5-dioxidooxan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: diazanium [(2R,3R,4R,5S,6R)-3,4-bis(oxidanidyl)-6-[[oxidanidyl(oxidanyl)phosphoryl]oxymethyl]-5-oxidanyl-oxan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C6H18N2O12P2-2
MOLECULAR WEIGHT: 372.160842
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)[O-])[O-])[O-])O)OP(=O)(O)[O-].[NH4+].[NH4+]
CAS RN: 77923-83-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CC1CC23CC1C(=O)C2CCCC3(C)C
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