CAS RN: 79893-21-3
CAS Name: 3-amino-4-methoxy-4-nitro-1-cyclohexa-1,5-dienecarboxylic acid methyl ester
OPENEYE Name: methyl 3-amino-4-methoxy-4-nitro-cyclohexa-1,5-diene-1-carboxylate
IUPAC Name: methyl 3-amino-4-methoxy-4-nitrocyclohexa-1,5-diene-1-carboxylate
SYSTEMATIC NAME: methyl 3-azanyl-4-methoxy-4-nitro-cyclohexa-1,5-diene-1-carboxylate
MOLECULAR FORMULA: C9H12N2O5
MOLECULAR WEIGHT: 228.20198
SMILES: COC(=O)C1=CC(C(C=C1)([N+](=O)[O-])OC)N
CAS RN: 93857-70-6
CAS Name: 3-[2-[(Z)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-1,3-benzoselenazol-3-ium-3-yl]-1-propanesulfonate
OPENEYE Name: 3-[2-[(Z)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-1,3-benzoselenazol-3-ium-3-yl]propane-1-sulfonate
IUPAC Name: 3-[2-[(Z)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-1,3-benzoselenazol-3-ium-3-yl]propane-1-sulfonate
SYSTEMATIC NAME: 3-[2-[(Z)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzoselenazol-2-ylidene)methyl]but-1-enyl]-6-methoxy-5-methyl-1,3-benzoselenazol-3-ium-3-yl]propane-1-sulfonate
MOLECULAR FORMULA: C28H34N2O4SSe2
MOLECULAR WEIGHT: 652.56556
SMILES: CC/C(=C/C1=[N+](C2=C([Se]1)C=C(C(=C2)C)OC)CCCS(=O)(=O)[O-])/C=C\3/N(C4=C([Se]3)C=C(C(=C4)C)C)CC
CAS RN: 102561-59-1
CAS Name: N'-(2-aminoethyl)propane-1,3-diamine; N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine; hexanedioic acid
OPENEYE Name: adipic acid; N'-(2-aminoethyl)propane-1,3-diamine; N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
IUPAC Name: N'-(2-aminoethyl)propane-1,3-diamine; N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine; hexanedioic acid
SYSTEMATIC NAME: N'-(2-azanylethyl)propane-1,3-diamine; N'-[2-(3-azanylpropylamino)ethyl]propane-1,3-diamine; hexanedioic acid
MOLECULAR FORMULA: C19H47N7O4
MOLECULAR WEIGHT: 437.62098
SMILES: C(CCC(=O)O)CC(=O)O.C(CN)CNCCN.C(CN)CNCCNCCCN
CAS RN: 85030-42-8
CAS Name: sodium 2-[(5-chloro-2-methylanilino)-[(Z)-ethylideneamino]amino]-5-(dimethylsulfamoyl)benzoate
OPENEYE Name: sodium 2-[(5-chloro-2-methyl-anilino)-[(Z)-ethylideneamino]amino]-5-(dimethylsulfamoyl)benzoate
IUPAC Name: sodium 2-[(5-chloro-2-methylanilino)-[(Z)-ethylideneamino]amino]-5-(dimethylsulfamoyl)benzoate
SYSTEMATIC NAME: sodium 2-[[(5-chloranyl-2-methyl-phenyl)amino]-[(Z)-ethylideneamino]amino]-5-(dimethylsulfamoyl)benzoate
MOLECULAR FORMULA: C18H20ClN4NaO4S
MOLECULAR WEIGHT: 446.88357
SMILES: C/C=N\N(C1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)[O-])NC2=C(C=CC(=C2)Cl)C.[Na+]
CAS RN: 75352-31-7
CAS Name: (3aS,4R,10R)-2,6-diamino-4-(hydroxymethyl)-3,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-10-ol
OPENEYE Name: (3aS,4R,10R)-2,6-diamino-4-(hydroxymethyl)-3,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-10-ol
IUPAC Name: (3aS,4R,10R)-2,6-diamino-4-(hydroxymethyl)-3,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-10-ol
SYSTEMATIC NAME: (3aS,4R,10R)-2,6-bis(azanyl)-4-(hydroxymethyl)-3,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-10-ol
MOLECULAR FORMULA: C9H16N6O2
MOLECULAR WEIGHT: 240.26234
SMILES: C1CN2C(=N[C@H]([C@H]3C2([C@@H]1O)N=C(N3)N)CO)N
CAS RN: 94136-06-8
CAS Name: 1-[2-[2-(2,4-dioxo-1-imidazolidinyl)ethylamino]ethyl]imidazolidine-2,4-dione
OPENEYE Name: 1-[2-[2-(2,4-dioxoimidazolidin-1-yl)ethylamino]ethyl]imidazolidine-2,4-dione
IUPAC Name: 1-[2-[2-(2,4-dioxoimidazolidin-1-yl)ethylamino]ethyl]imidazolidine-2,4-dione
SYSTEMATIC NAME: 1-[2-[2-[2,4-bis(oxidanylidene)imidazolidin-1-yl]ethylamino]ethyl]imidazolidine-2,4-dione
MOLECULAR FORMULA: C10H15N5O4
MOLECULAR WEIGHT: 269.2572
SMILES: C1C(=O)NC(=O)N1CCNCCN2CC(=O)NC2=O
CAS RN: 84696-78-6
CAS Name: 9-[(4Z)-1-cyclooct-4-enyl]-9-phosphabicyclo[4.2.1]nonane
OPENEYE Name: 9-[(4Z)-cyclooct-4-en-1-yl]-9-phosphabicyclo[4.2.1]nonane
IUPAC Name: 9-[(4Z)-cyclooct-4-en-1-yl]-9-phosphabicyclo[4.2.1]nonane
SYSTEMATIC NAME: 9-[(4Z)-cyclooct-4-en-1-yl]-9-phosphabicyclo[4.2.1]nonane
MOLECULAR FORMULA: C16H27P
MOLECULAR WEIGHT: 250.359341
SMILES: C1CCC2CCC(C1)P2C3CCC/C=C\CC3
CAS RN: 94110-05-1
CAS Name: 3-ethyl-3-(hydroxymethyl)-1,5-dioxacycloundecane-6,11-dione
OPENEYE Name: 3-ethyl-3-(hydroxymethyl)-1,5-dioxacycloundecane-6,11-dione
IUPAC Name: 3-ethyl-3-(hydroxymethyl)-1,5-dioxacycloundecane-6,11-dione
SYSTEMATIC NAME: 3-ethyl-3-(hydroxymethyl)-1,5-dioxacycloundecane-6,11-dione
MOLECULAR FORMULA: C12H20O5
MOLECULAR WEIGHT: 244.2842
SMILES: CCC1(COC(=O)CCCCC(=O)OC1)CO
CAS RN: 93918-69-5
CAS Name: cerium(3+) tribromate
OPENEYE Name: cerium(3+) tribromate
IUPAC Name: cerium(3+) tribromate
SYSTEMATIC NAME: cerium(3+) tribromate
MOLECULAR FORMULA: Br3CeO9
MOLECULAR WEIGHT: 523.8226
SMILES: [O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O.[Ce+3]
CAS RN: 134123-91-4
CAS Name: 3-(2-ethylphenyl)-2,2-dimethylpropanenitrile
OPENEYE Name: 3-(2-ethylphenyl)-2,2-dimethyl-propanenitrile
IUPAC Name: 3-(2-ethylphenyl)-2,2-dimethylpropanenitrile
SYSTEMATIC NAME: 3-(2-ethylphenyl)-2,2-dimethyl-propanenitrile
MOLECULAR FORMULA: C13H17N
MOLECULAR WEIGHT: 187.28078
SMILES: CCC1=CC=CC=C1CC(C)(C)C#N
CAS RN: 14815-59-9
CAS Name: cyclohexanamine; [4-[1-(4-hydroxyphenyl)-3-oxo-1-isobenzofuranyl]phenyl] dihydrogen phosphate
OPENEYE Name: cyclohexanamine; [4-[1-(4-hydroxyphenyl)-3-oxo-isobenzofuran-1-yl]phenyl] dihydrogen phosphate
IUPAC Name: cyclohexanamine; [4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenyl] dihydrogen phosphate
SYSTEMATIC NAME: cyclohexanamine; [4-[1-(4-hydroxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenyl] dihydrogen phosphate
MOLECULAR FORMULA: C26H28NO7P
MOLECULAR WEIGHT: 497.476781
SMILES: C1CCC(CC1)N.C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)(O)O
CAS RN: 70894-14-3
CAS Name: N-ethynylcarbamic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethynylcarbamate
IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethynylcarbamate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethynylcarbamate
MOLECULAR FORMULA: C22H29NO3
MOLECULAR WEIGHT: 355.47056
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)NC#C)CCC4=CC(=O)CC[C@]34C
CAS RN: 136696-10-1
CAS Name: (5S,6E,8Z,10E,14Z)-5-hydroxy-12-oxoeicosa-6,8,10,14-tetraenoic acid
OPENEYE Name: (5S,6E,8Z,10E,14Z)-5-hydroxy-12-oxo-icosa-6,8,10,14-tetraenoic acid
IUPAC Name: (5S,6E,8Z,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
SYSTEMATIC NAME: (5S,6E,8Z,10E,14Z)-5-oxidanyl-12-oxidanylidene-icosa-6,8,10,14-tetraenoic acid
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CCCCC/C=C\CC(=O)/C=C/C=C\C=C\[C@H](CCCC(=O)O)O
CAS RN: 4531-53-7
CAS Name: 5-chloro-1-methylimidazole; nitric acid
OPENEYE Name: 5-chloro-1-methyl-imidazole; nitric acid
IUPAC Name: 5-chloro-1-methylimidazole; nitric acid
SYSTEMATIC NAME: 5-chloranyl-1-methyl-imidazole; nitric acid
MOLECULAR FORMULA: C4H6ClN3O3
MOLECULAR WEIGHT: 179.56174
SMILES: CN1C=NC=C1Cl.[N+](=O)(O)[O-]
CAS RN: 73398-44-4
CAS Name: trisodium 1-azanidyloxysulfonyl-4-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]azoanilino]-9,10-dioxo-2-anthracenesulfonate
OPENEYE Name: trisodium 1-azanidyloxysulfonyl-4-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]azoanilino]-9,10-dioxo-anthracene-2-sulfonate
IUPAC Name: trisodium 1-azanidyloxysulfonyl-4-[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]diazenyl]anilino]-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: trisodium 1-azanidyloxysulfonyl-4-[[4-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]diazenyl]phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C29H15Cl2N8Na3O11S3
MOLECULAR WEIGHT: 887.54671
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)N=NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)O[NH-].[Na+].[Na+].[Na+]
CAS RN: 71550-13-5
CAS Name: [phosphonomethyl(prop-2-enyl)amino]methylphosphonic acid; 2-propenoic acid
OPENEYE Name: acrylic acid; [allyl(phosphonomethyl)amino]methylphosphonic acid
IUPAC Name: [phosphonomethyl(prop-2-enyl)amino]methylphosphonic acid; prop-2-enoic acid
SYSTEMATIC NAME: [phosphonomethyl(prop-2-enyl)amino]methylphosphonic acid; prop-2-enoic acid
MOLECULAR FORMULA: C8H17NO8P2
MOLECULAR WEIGHT: 317.170002
SMILES: C=CCN(CP(=O)(O)O)CP(=O)(O)O.C=CC(=O)O
CAS RN: 24917-46-2
CAS Name: diammonium plutonium tricarbonate
OPENEYE Name: diammonium plutonium tricarbonate
IUPAC Name: diazanium plutonium tricarbonate
SYSTEMATIC NAME: diazanium plutonium tricarbonate
MOLECULAR FORMULA: C3H8N2O9Pu-4
MOLECULAR WEIGHT: 460.167818
SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[NH4+].[NH4+].[Pu]
CAS RN: 113358-20-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H24O10
MOLECULAR WEIGHT: 376.35576
SMILES: CC1C2COC(C3C2C(C1O)OC3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
CAS RN: 101316-88-5
CAS Name: benzene-1,3-dicarboxylic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione
OPENEYE Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione; isophthalic acid
IUPAC Name: benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol
MOLECULAR FORMULA: C22H24O10
MOLECULAR WEIGHT: 448.41996
SMILES: CCC(CO)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O
CAS RN: 93777-80-1
CAS Name: dimethyl-[4-[methyl(methylcarbamoyl)amino]phenyl]ammonium; methyl sulfate
OPENEYE Name: dimethyl-[4-[methyl(methylcarbamoyl)amino]phenyl]ammonium; methyl sulfate
IUPAC Name: dimethyl-[4-[methyl(methylcarbamoyl)amino]phenyl]azanium; methyl sulfate
SYSTEMATIC NAME: dimethyl-[4-[methyl(methylcarbamoyl)amino]phenyl]azanium; methyl sulfate
MOLECULAR FORMULA: C12H21N3O5S
MOLECULAR WEIGHT: 319.37724
SMILES: CNC(=O)N(C)C1=CC=C(C=C1)[NH+](C)C.COS(=O)(=O)[O-]
CAS RN: 92908-53-7
CAS Name: N,4-dimethyl-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline; 4-methylbenzenesulfonate
OPENEYE Name: N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline; 4-methylbenzenesulfonate
IUPAC Name: N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline; 4-methylbenzenesulfonate
SYSTEMATIC NAME: N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C27H31N3O3S
MOLECULAR WEIGHT: 477.61834
SMILES: CC1=CC=C(C=C1)N(C)/N=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
CAS RN: 75334-04-2
CAS Name: 2-acetyloxybenzoic acid; 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide; hydrochloride
OPENEYE Name: 2-acetoxybenzoic acid; 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide; hydrochloride
IUPAC Name: 2-acetyloxybenzoic acid; 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide; hydrochloride
SYSTEMATIC NAME: 2-acetyloxybenzoic acid; 4-azanyl-5-chloranyl-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide; hydrochloride
MOLECULAR FORMULA: C23H31Cl2N3O6
MOLECULAR WEIGHT: 516.41474
SMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.CC(=O)OC1=CC=CC=C1C(=O)O.Cl
CAS RN: 135929-42-9
CAS Name: ethanol; pentachlorotantalum
OPENEYE Name: ethanol; pentachlorotantalum
IUPAC Name: ethanol; pentachlorotantalum
SYSTEMATIC NAME: ethanol; pentakis(chloranyl)tantalum
MOLECULAR FORMULA: C2H6Cl5OTa
MOLECULAR WEIGHT: 404.28134
SMILES: CCO.Cl[Ta](Cl)(Cl)(Cl)Cl
CAS RN: 222400-20-6
CAS Name: (4R,5S,6S)-3-[[(3S,5S)-5-[[(3S)-3-[[2-(diaminomethylideneamino)-1-oxoethyl]amino]-1-pyrrolidinyl]-oxomethyl]-1-methyl-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (4R,5S,6S)-3-[(3S,5S)-5-[(3S)-3-[(2-guanidinoacetyl)amino]pyrrolidine-1-carbonyl]-1-methyl-pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (4R,5S,6S)-3-[(3S,5S)-5-[(3S)-3-[[2-(diaminomethylideneamino)acetyl]amino]pyrrolidine-1-carbonyl]-1-methylpyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (4R,5S,6S)-3-[(3S,5S)-5-[(3S)-3-[2-[bis(azanyl)methylideneamino]ethanoylamino]pyrrolidin-1-yl]carbonyl-1-methyl-pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C23H35N7O6S
MOLECULAR WEIGHT: 537.6323
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C)C(=O)N4CC[C@@H](C4)NC(=O)CN=C(N)N)C(=O)O)C(C)O
CAS RN: 634602-79-2
CAS Name: (4R,5S,6S)-3-[[(3S,5S)-5-[[(3S)-3-[[2-(diaminomethylideneamino)-1-oxoethyl]amino]-1-pyrrolidinyl]-oxomethyl]-1-methyl-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (4R,5S,6S)-3-[(3S,5S)-5-[(3S)-3-[(2-guanidinoacetyl)amino]pyrrolidine-1-carbonyl]-1-methyl-pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (4R,5S,6S)-3-[(3S,5S)-5-[(3S)-3-[[2-(diaminomethylideneamino)acetyl]amino]pyrrolidine-1-carbonyl]-1-methylpyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (4R,5S,6S)-3-[(3S,5S)-5-[(3S)-3-[2-[bis(azanyl)methylideneamino]ethanoylamino]pyrrolidin-1-yl]carbonyl-1-methyl-pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C23H35N7O6S
MOLECULAR WEIGHT: 537.6323
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C)C(=O)N4CC[C@@H](C4)NC(=O)CN=C(N)N)C(=O)O)C(C)O
CAS RN: 97434-76-9
CAS Name: 3,6-ditert-butyl-1-naphthalenesulfonic acid; 2-(dimethylamino)-1-(10-phenothiazinyl)ethanone
OPENEYE Name: 3,6-ditert-butylnaphthalene-1-sulfonic acid; 2-(dimethylamino)-1-phenothiazin-10-yl-ethanone
IUPAC Name: 3,6-ditert-butylnaphthalene-1-sulfonic acid; 2-(dimethylamino)-1-phenothiazin-10-ylethanone
SYSTEMATIC NAME: 3,6-ditert-butylnaphthalene-1-sulfonic acid; 2-(dimethylamino)-1-phenothiazin-10-yl-ethanone
MOLECULAR FORMULA: C34H40N2O4S2
MOLECULAR WEIGHT: 604.8224
SMILES: CC(C)(C)C1=CC2=CC(=CC(=C2C=C1)S(=O)(=O)O)C(C)(C)C.CN(C)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
CAS RN: 84195-93-7
CAS Name: 9,10-dioxo-1-anthracenediazonium; tetrachlorozinc(2-)
OPENEYE Name: 9,10-dioxoanthracene-1-diazonium; tetrachlorozinc(2-)
IUPAC Name: 9,10-dioxoanthracene-1-diazonium; tetrachlorozinc(2-)
SYSTEMATIC NAME: 9,10-bis(oxidanylidene)anthracene-1-diazonium; tetrakis(chloranyl)zinc(2-)
MOLECULAR FORMULA: C28H14Cl4N4O4Zn
MOLECULAR WEIGHT: 677.65616
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+]#N.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
CAS RN: 83783-91-9
CAS Name: disodium (3E)-7-amino-3-[[2-methoxy-4-(3-sulfonatophenyl)azophenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate
OPENEYE Name: disodium (3E)-7-amino-3-[[2-methoxy-4-(3-sulfonatophenyl)azo-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate
IUPAC Name: disodium (3E)-7-amino-3-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium (3E)-7-azanyl-3-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate
MOLECULAR FORMULA: C23H17N5Na2O8S2
MOLECULAR WEIGHT: 601.51932
SMILES: COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)[O-])N/N=C\3/C(=CC4=C(C3=O)C=CC(=C4)N)S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 94247-60-6
CAS Name: (E)-N,N-dibutyl-2-octadecenamide
OPENEYE Name: (E)-N,N-dibutyloctadec-2-enamide
IUPAC Name: (E)-N,N-dibutyloctadec-2-enamide
SYSTEMATIC NAME: (E)-N,N-dibutyloctadec-2-enamide
MOLECULAR FORMULA: C26H51NO
MOLECULAR WEIGHT: 393.68924
SMILES: CCCCCCCCCCCCCCC/C=C/C(=O)N(CCCC)CCCC
CAS RN: 84041-81-6
CAS Name: (2E)-2-[(2-methyl-3-bicyclo[2.2.1]hept-5-enyl)methylidene]heptanal
OPENEYE Name: (2E)-2-[(2-methyl-3-bicyclo[2.2.1]hept-5-enyl)methylene]heptanal
IUPAC Name: (2E)-2-[(2-methyl-3-bicyclo[2.2.1]hept-5-enyl)methylidene]heptanal
SYSTEMATIC NAME: (2E)-2-[(2-methyl-3-bicyclo[2.2.1]hept-5-enyl)methylidene]heptanal
MOLECULAR FORMULA: C16H24O
MOLECULAR WEIGHT: 232.36116
SMILES: CCCCC/C(=C\C1C(C2CC1C=C2)C)/C=O
CAS RN: 73398-36-4
CAS Name: hexasodium (6Z)-4-amino-3-[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]azo-6-[[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonate
OPENEYE Name: hexasodium (6Z)-4-amino-3-[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]azo-6-[[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]hydrazono]-5-oxo-naphthalene-2,7-disulfonate
IUPAC Name: hexasodium (6Z)-4-amino-3-[[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-6-[[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: hexasodium (6Z)-4-azanyl-3-[[4-[[4-chloranyl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]diazenyl]-6-[[4-[[4-chloranyl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]hydrazinylidene]-5-oxidanylidene
MOLECULAR FORMULA: C40H23Cl2N15Na6O19S6
MOLECULAR WEIGHT: 1418.93434
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N/N=C/4\C(=CC5=CC(=C(C(=C5C4=O)N)N=NC6=C(C=C(C=C6)NC7=NC(=NC(=N7)NC8=CC=C(C=C8)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
CAS RN: 167078-16-2
CAS Name: 2-(dimethylamino)-2-methyl-1-propanol; 2-methyl-2-propenoic acid octadecyl ester; 2-propenoic acid
OPENEYE Name: acrylic acid; 2-(dimethylamino)-2-methyl-propan-1-ol; octadecyl 2-methylprop-2-enoate
IUPAC Name: 2-(dimethylamino)-2-methylpropan-1-ol; octadecyl 2-methylprop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: 2-(dimethylamino)-2-methyl-propan-1-ol; octadecyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C31H61NO5
MOLECULAR WEIGHT: 527.81974
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.CC(C)(CO)N(C)C.C=CC(=O)O
CAS RN: 84608-82-2
CAS Name: (2S)-5-oxo-2-pyrrolidinecarboxylic acid [2-hydroxy-3-[(Z)-1-oxooctadec-9-enoxy]propyl] ester
OPENEYE Name: [2-hydroxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] (2S)-5-oxopyrrolidine-2-carboxylate
IUPAC Name: [2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (2S)-5-oxopyrrolidine-2-carboxylate
SYSTEMATIC NAME: [3-[(Z)-octadec-9-enoyl]oxy-2-oxidanyl-propyl] (2S)-5-oxidanylidenepyrrolidine-2-carboxylate
MOLECULAR FORMULA: C26H45NO6
MOLECULAR WEIGHT: 467.6386
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)[C@@H]1CCC(=O)N1)O
CAS RN: 93803-24-8
CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-oxo-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-oxo-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-oxo-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-oxidanylidene-3-phenyl-propanoic acid
MOLECULAR FORMULA: C15H17N3O5
MOLECULAR WEIGHT: 319.31258
SMILES: C1=CC=C(C=C1)CC(=O)C(=O)O.C1=C(NC=N1)C[C@@H](C(=O)O)N
CAS RN: 94109-60-1
CAS Name: [2-(3,5-dihydroxyphenyl)-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium sulfate
OPENEYE Name: benzyl-[2-(3,5-dihydroxyphenyl)-2-oxo-ethyl]-isopropyl-ammonium sulfate
IUPAC Name: benzyl-[2-(3,5-dihydroxyphenyl)-2-oxoethyl]-propan-2-ylazanium sulfate
SYSTEMATIC NAME: [2-[3,5-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium sulfate
MOLECULAR FORMULA: C36H44N2O10S
MOLECULAR WEIGHT: 696.80696
SMILES: CC(C)[NH+](CC1=CC=CC=C1)CC(=O)C2=CC(=CC(=C2)O)O.CC(C)[NH+](CC1=CC=CC=C1)CC(=O)C2=CC(=CC(=C2)O)O.[O-]S(=O)(=O)[O-]
CAS RN: 94233-61-1
CAS Name: 2-(dimethylamino)ethanol; 3,4-di(nonyl)naphthalene-1,2-disulfonic acid
OPENEYE Name: 2-(dimethylamino)ethanol; 3,4-di(nonyl)naphthalene-1,2-disulfonic acid
IUPAC Name: 2-(dimethylamino)ethanol; 3,4-di(nonyl)naphthalene-1,2-disulfonic acid
SYSTEMATIC NAME: 2-(dimethylamino)ethanol; 3,4-di(nonyl)naphthalene-1,2-disulfonic acid
MOLECULAR FORMULA: C32H55NO7S2
MOLECULAR WEIGHT: 629.9116
SMILES: CCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)CCCCCCCCC.CN(C)CCO
CAS RN: 72749-79-2
CAS Name: disodium 3-[[4-(2,6-diethyl-4-methyl-3-sulfonatoanilino)-9,10-dioxo-1-anthracenyl]amino]-2,4-diethyl-6-methylbenzenesulfonate
OPENEYE Name: disodium 3-[[4-(2,6-diethyl-4-methyl-3-sulfonato-anilino)-9,10-dioxo-1-anthryl]amino]-2,4-diethyl-6-methyl-benzenesulfonate
IUPAC Name: disodium 3-[[4-(2,6-diethyl-4-methyl-3-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]-2,4-diethyl-6-methylbenzenesulfonate
SYSTEMATIC NAME: disodium 3-[[4-[(2,6-diethyl-4-methyl-3-sulfonato-phenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2,4-diethyl-6-methyl-benzenesulfonate
MOLECULAR FORMULA: C36H36N2Na2O8S2
MOLECULAR WEIGHT: 734.78918
SMILES: CCC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4CC)C)S(=O)(=O)[O-])CC)C(=O)C5=CC=CC=C5C3=O)CC)S(=O)(=O)[O-])C.[Na+].[Na+]
CAS RN: 93920-32-2
CAS Name: 16-methylheptadecanoic acid; morpholine
OPENEYE Name: 16-methylheptadecanoic acid; morpholine
IUPAC Name: 16-methylheptadecanoic acid; morpholine
SYSTEMATIC NAME: 16-methylheptadecanoic acid; morpholine
MOLECULAR FORMULA: C22H45NO3
MOLECULAR WEIGHT: 371.5976
SMILES: CC(C)CCCCCCCCCCCCCCC(=O)O.C1COCCN1
CAS RN: 133888-47-8
CAS Name: 6-amino-2,4-dichloro-3-ethylphenol; sulfuric acid
OPENEYE Name: 6-amino-2,4-dichloro-3-ethyl-phenol; sulfuric acid
IUPAC Name: 6-amino-2,4-dichloro-3-ethylphenol; sulfuric acid
SYSTEMATIC NAME: 6-azanyl-2,4-bis(chloranyl)-3-ethyl-phenol; sulfuric acid
MOLECULAR FORMULA: C16H20Cl4N2O6S
MOLECULAR WEIGHT: 510.2168
SMILES: CCC1=C(C=C(C(=C1Cl)O)N)Cl.CCC1=C(C=C(C(=C1Cl)O)N)Cl.OS(=O)(=O)O
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