CAS RN: 72208-01-6
CAS Name: N-methyl-N-(phenylmethyl)-4-[(1,2,4-trimethyl-3H-1,2,4-triazol-4-ium-5-yl)azo]aniline; tetrachlorozinc(2-)
OPENEYE Name: N-benzyl-N-methyl-4-[(1,2,4-trimethyl-3H-1,2,4-triazol-4-ium-5-yl)azo]aniline; tetrachlorozinc(2-)
IUPAC Name: N-benzyl-N-methyl-4-[(1,2,4-trimethyl-3H-1,2,4-triazol-4-ium-5-yl)diazenyl]aniline; tetrachlorozinc(2-)
SYSTEMATIC NAME: N-methyl-N-(phenylmethyl)-4-[(1,2,4-trimethyl-3H-1,2,4-triazol-4-ium-5-yl)diazenyl]aniline; tetrakis(chloranyl)zinc(2-)
MOLECULAR FORMULA: C38H50Cl4N12Zn
MOLECULAR WEIGHT: 882.105
SMILES: CN1C[N+](=C(N1C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3)C.CN1C[N+](=C(N1C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3)C.Cl[Zn-2](Cl)(Cl)Cl
CAS RN: 74129-06-9
CAS Name: 1-(5-methyl-2-propan-2-yl-8-bicyclo[2.2.2]oct-5-enyl)ethanone
OPENEYE Name: 1-(2-isopropyl-5-methyl-8-bicyclo[2.2.2]oct-5-enyl)ethanone
IUPAC Name: 1-(5-methyl-2-propan-2-yl-8-bicyclo[2.2.2]oct-5-enyl)ethanone
SYSTEMATIC NAME: 1-(5-methyl-2-propan-2-yl-8-bicyclo[2.2.2]oct-5-enyl)ethanone
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CC1=CC2CC(C1CC2C(C)C)C(=O)C
CAS RN: 100402-58-2
CAS Name: (2S,3R)-butane-1,2,3,4-tetrol; (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]oxyhexanal
OPENEYE Name: (2S,3R)-butane-1,2,3,4-tetrol; (2R,3S,4R,5R)-2-[(1R,2S,3R,4R)-1-formyl-2,3,4,5-tetrahydroxy-pentoxy]-3,4,5,6-tetrahydroxy-hexanal
IUPAC Name: (2S,3R)-butane-1,2,3,4-tetrol; (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]oxyhexanal
SYSTEMATIC NAME: (2S,3R)-butane-1,2,3,4-tetrol; (2R,3S,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-2-[(2R,3S,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]oxy-hexanal
MOLECULAR FORMULA: C16H32O15
MOLECULAR WEIGHT: 464.41628
SMILES: C([C@H]([C@H](CO)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C=O)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O
CAS RN: 83763-77-3
CAS Name: trisodium (3Z)-5-amino-3-[[4-[4-(2,4-diamino-5-sulfonatophenyl)azo-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-6-(4-nitrophenyl)azo-4-oxonaphthalene-2,7-disulfonate
OPENEYE Name: trisodium (3Z)-5-amino-3-[[4-[4-(2,4-diamino-5-sulfonato-phenyl)azo-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazono]-6-(4-nitrophenyl)azo-4-oxo-naphthalene-2,7-disulfonate
IUPAC Name: trisodium (3Z)-5-amino-3-[[4-[4-[(2,4-diamino-5-sulfonatophenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-6-[(4-nitrophenyl)diazenyl]-4-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: trisodium (3Z)-5-azanyl-3-[[4-[4-[[2,4-bis(azanyl)-5-sulfonato-phenyl]diazenyl]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazinylidene]-6-[(4-nitrophenyl)diazenyl]-4-oxidanylidene-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C36H27N10Na3O14S3
MOLECULAR WEIGHT: 988.82249
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=CC(=C(C=C3N)N)S(=O)(=O)[O-])OC)N/N=C/4\C(=CC5=CC(=C(C(=C5C4=O)N)N=NC6=CC=C(C=C6)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
CAS RN: 189354-27-6
CAS Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; 3,5,5-trimethylhexanoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester
OPENEYE Name: 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 3,5,5-trimethylhexanoate
IUPAC Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 3,5,5-trimethylhexanoate
SYSTEMATIC NAME: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 3,5,5-trimethylhexanoate
MOLECULAR FORMULA: C22H38O8
MOLECULAR WEIGHT: 430.53232
SMILES: CC(CC(=O)OCC(CO)(CO)CO)CC(C)(C)C.C1CCC2C(C1)C(=O)OC2=O
CAS RN: 84083-17-0
CAS Name: 3-[4-(diethylamino)phenyl]-3-(4-methylphenyl)-1-isobenzofuranone
OPENEYE Name: 3-[4-(diethylamino)phenyl]-3-(p-tolyl)isobenzofuran-1-one
IUPAC Name: 3-[4-(diethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3-[4-(diethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one
MOLECULAR FORMULA: C25H25NO2
MOLECULAR WEIGHT: 371.4715
SMILES: CCN(CC)C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)C
CAS RN: 94349-49-2
CAS Name: disodium 4-[[4-(4-carboxyanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-5-hydroxynaphthalene-2,7-disulfonate
OPENEYE Name: disodium 4-[[4-(4-carboxyanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-5-hydroxy-naphthalene-2,7-disulfonate
IUPAC Name: disodium 4-[[4-(4-carboxyanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-5-hydroxynaphthalene-2,7-disulfonate
SYSTEMATIC NAME: disodium 4-[[4-[(4-carboxyphenyl)amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-5-oxidanyl-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C20H12ClN5Na2O9S2
MOLECULAR WEIGHT: 611.89992
SMILES: C1=CC(=CC=C1C(=O)O)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C=C4O)S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 150811-08-8
CAS Name: 4-methyl-6-propyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridine-10,11-diol
OPENEYE Name: 4-methyl-6-propyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridine-10,11-diol
IUPAC Name: 4-methyl-6-propyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridine-10,11-diol
SYSTEMATIC NAME: 4-methyl-6-propyl-6a,7,8,12b-tetrahydro-5H-benzo[a]phenanthridine-10,11-diol
MOLECULAR FORMULA: C21H25NO2
MOLECULAR WEIGHT: 323.4287
SMILES: CCCN1CC2=C(C=CC=C2C)C3C1CCC4=CC(=C(C=C34)O)O
CAS RN: 93963-28-1
CAS Name: (1R,2S)-2-(2-hydroxyethylamino)-1-phenyl-1-propanol hydrochloride
OPENEYE Name: (1R,2S)-2-(2-hydroxyethylamino)-1-phenyl-propan-1-ol hydrochloride
IUPAC Name: (1R,2S)-2-(2-hydroxyethylamino)-1-phenylpropan-1-ol hydrochloride
SYSTEMATIC NAME: (1R,2S)-2-(2-hydroxyethylamino)-1-phenyl-propan-1-ol hydrochloride
MOLECULAR FORMULA: C11H18ClNO2
MOLECULAR WEIGHT: 231.71912
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCO.Cl
CAS RN: 85068-50-4
CAS Name: 2-aminoethanol; 2-thiophenecarboxylic acid
OPENEYE Name: 2-aminoethanol; thiophene-2-carboxylic acid
IUPAC Name: 2-aminoethanol; thiophene-2-carboxylic acid
SYSTEMATIC NAME: 2-azanylethanol; thiophene-2-carboxylic acid
MOLECULAR FORMULA: C7H11NO3S
MOLECULAR WEIGHT: 189.23214
SMILES: C1=CSC(=C1)C(=O)O.C(CO)N
CAS RN: 79276-19-0
CAS Name: 2,2,4,4-tetramethyl-20-[6-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]heneicosan-20-yl)hexyl]-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]heneicosan-21-one
OPENEYE Name: 2,2,4,4-tetramethyl-20-[6-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]henicosan-20-yl)hexyl]-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]henicosan-21-one
IUPAC Name: 2,2,4,4-tetramethyl-20-[6-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]henicosan-20-yl)hexyl]-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]henicosan-21-one
SYSTEMATIC NAME: 2,2,4,4-tetramethyl-20-[6-(2,2,4,4-tetramethyl-21-oxidanylidene-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]henicosan-20-yl)hexyl]-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]henicosan-21-one
MOLECULAR FORMULA: C50H90N4O4
MOLECULAR WEIGHT: 811.274
SMILES: CC1(CC2(CC(N1)(C)C)C(=O)N(C3(O2)CCCCCCCCCCC3)CCCCCCN4C(=O)C5(CC(NC(C5)(C)C)(C)C)OC46CCCCCCCCCCC6)C
CAS RN: 93893-70-0
CAS Name: 2-[1-[2-hydroxy-5-methyl-3-(2-methylpropyl)phenyl]-2-methylpropyl]-4-methyl-6-(2-methylpropyl)phenol
OPENEYE Name: 2-[1-(2-hydroxy-3-isobutyl-5-methyl-phenyl)-2-methyl-propyl]-6-isobutyl-4-methyl-phenol
IUPAC Name: 2-[1-[2-hydroxy-5-methyl-3-(2-methylpropyl)phenyl]-2-methylpropyl]-4-methyl-6-(2-methylpropyl)phenol
SYSTEMATIC NAME: 4-methyl-2-[2-methyl-1-[5-methyl-3-(2-methylpropyl)-2-oxidanyl-phenyl]propyl]-6-(2-methylpropyl)phenol
MOLECULAR FORMULA: C26H38O2
MOLECULAR WEIGHT: 382.57872
SMILES: CC1=CC(=C(C(=C1)C(C2=CC(=CC(=C2O)CC(C)C)C)C(C)C)O)CC(C)C
CAS RN: 85391-73-7
CAS Name: dodecanoic acid [2-[(8S,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(8S,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dodecanoate
IUPAC Name: [2-[(8S,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dodecanoate
SYSTEMATIC NAME: [2-[(8S,13S,14S,16R,17S)-16-ethyl-13-methyl-3-oxidanylidene-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] dodecanoate
MOLECULAR FORMULA: C34H52O4
MOLECULAR WEIGHT: 524.77428
SMILES: CCCCCCCCCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CCC3=C4CCC(=O)C=C4CC[C@@H]23)C)CC
CAS RN: 93047-97-3
CAS Name: carbamodithioic acid; 2-methyl-2-propylpropane-1,3-diol
OPENEYE Name: carbamodithioic acid; 2-methyl-2-propyl-propane-1,3-diol
IUPAC Name: carbamodithioic acid; 2-methyl-2-propylpropane-1,3-diol
SYSTEMATIC NAME: carbamodithioic acid; 2-methyl-2-propyl-propane-1,3-diol
MOLECULAR FORMULA: C8H19NO2S2
MOLECULAR WEIGHT: 225.37196
SMILES: CCCC(C)(CO)CO.C(=S)(N)S
CAS RN: 84030-06-8
CAS Name: disodium 3-[3-carboxy-5-oxo-4-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonate
OPENEYE Name: disodium 3-[3-carboxy-5-oxo-4-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonate
IUPAC Name: disodium 3-[3-carboxy-5-oxo-4-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonate
SYSTEMATIC NAME: disodium 3-[3-carboxy-5-oxidanylidene-4-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonate
MOLECULAR FORMULA: C18H14N4Na2O12S3
MOLECULAR WEIGHT: 620.4979
SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])N2C(=O)C(C(=N2)C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 97338-28-8
CAS Name: 12-(1-oxooctadecoxy)octadecanoic acid 14-methylpentadecyl ester
OPENEYE Name: 14-methylpentadecyl 12-octadecanoyloxyoctadecanoate
IUPAC Name: 14-methylpentadecyl 12-octadecanoyloxyoctadecanoate
SYSTEMATIC NAME: 14-methylpentadecyl 12-octadecanoyloxyoctadecanoate
MOLECULAR FORMULA: C52H102O4
MOLECULAR WEIGHT: 791.36388
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C
CAS RN: 94022-52-3
CAS Name: bromomethanone; iridium(3+); tetrabutylammonium
OPENEYE Name: bromomethanone; iridium(3+); tetrabutylammonium
IUPAC Name: bromomethanone; iridium(3+); tetrabutylazanium
SYSTEMATIC NAME: bromanylmethanone; iridium(3+); tetrabutylazanium
MOLECULAR FORMULA: C37H72Br5IrN2O5
MOLECULAR WEIGHT: 1216.71498
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[C-](=O)Br.[C-](=O)Br.[C-](=O)Br.[C-](=O)Br.[C-](=O)Br.[Ir+3]
CAS RN: 72347-85-4
CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; nonanoic acid 2,2-bis(hydroxymethyl)butyl ester
OPENEYE Name: 2,2-bis(hydroxymethyl)butyl nonanoate; 2,2-dimethylpropane-1,3-diol; isophthalic acid
IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2-bis(hydroxymethyl)butyl nonanoate; 2,2-dimethylpropane-1,3-diol
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; 2,2-bis(hydroxymethyl)butyl nonanoate; 2,2-dimethylpropane-1,3-diol
MOLECULAR FORMULA: C28H48O10
MOLECULAR WEIGHT: 544.67472
SMILES: CCCCCCCCC(=O)OCC(CC)(CO)CO.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O
CAS RN: 72088-90-5
CAS Name: 2-chloro-2-propenoic acid butyl ester; 2-chloro-2-propenoic acid methyl ester
OPENEYE Name: butyl 2-chloroprop-2-enoate; methyl 2-chloroprop-2-enoate
IUPAC Name: butyl 2-chloroprop-2-enoate; methyl 2-chloroprop-2-enoate
SYSTEMATIC NAME: butyl 2-chloranylprop-2-enoate; methyl 2-chloranylprop-2-enoate
MOLECULAR FORMULA: C11H16Cl2O4
MOLECULAR WEIGHT: 283.14834
SMILES: CCCCOC(=O)C(=C)Cl.COC(=O)C(=C)Cl
CAS RN: 84788-17-0
CAS Name: (E)-2-butenedioic acid O4-[dibutyl-[(E)-4-(11-methyldodecoxy)-1,4-dioxobut-2-enoxy]stannyl] ester O1-(11-methyldodecyl) ester
OPENEYE Name: O4-[dibutyl-[(E)-4-(11-methyldodecoxy)-4-oxo-but-2-enoyl]oxy-stannyl] O1-(11-methyldodecyl) (E)-but-2-enedioate
IUPAC Name: 4-O-[dibutyl-[(E)-4-(11-methyldodecoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(11-methyldodecyl) (E)-but-2-enedioate
SYSTEMATIC NAME: O4-[dibutyl-[(E)-4-(11-methyldodecoxy)-4-oxidanylidene-but-2-enoyl]oxy-stannyl] O1-(11-methyldodecyl) (E)-but-2-enedioate
MOLECULAR FORMULA: C42H76O8Sn
MOLECULAR WEIGHT: 827.75804
SMILES: CCCC[Sn](OC(=O)/C=C/C(=O)OCCCCCCCCCCC(C)C)(OC(=O)/C=C/C(=O)OCCCCCCCCCCC(C)C)CCCC
CAS RN: 93964-22-8
CAS Name: potassium 1-[(4-chloroanilino)-oxomethyl]-9H-carbazol-2-olate
OPENEYE Name: potassium 1-[(4-chlorophenyl)carbamoyl]-9H-carbazol-2-olate
IUPAC Name: potassium 1-[(4-chlorophenyl)carbamoyl]-9H-carbazol-2-olate
SYSTEMATIC NAME: potassium 1-[(4-chlorophenyl)carbamoyl]-9H-carbazol-2-olate
MOLECULAR FORMULA: C19H12ClKN2O2
MOLECULAR WEIGHT: 374.86208
SMILES: C1=CC=C2C(=C1)C3=C(N2)C(=C(C=C3)[O-])C(=O)NC4=CC=C(C=C4)Cl.[K+]
CAS RN: 93857-37-5
CAS Name: 2-anilinoethanol; 4-hydroxybenzenesulfonic acid
OPENEYE Name: 2-anilinoethanol; 4-hydroxybenzenesulfonic acid
IUPAC Name: 2-anilinoethanol; 4-hydroxybenzenesulfonic acid
SYSTEMATIC NAME: 4-oxidanylbenzenesulfonic acid; 2-phenylazanylethanol
MOLECULAR FORMULA: C14H17NO5S
MOLECULAR WEIGHT: 311.35348
SMILES: C1=CC=C(C=C1)NCCO.C1=CC(=CC=C1O)S(=O)(=O)O
CAS RN: 10114-63-3
CAS Name: disodium 4-[5-methoxy-4-[[[2-methoxy-5-methyl-4-(4-sulfonatophenyl)azoanilino]-oxomethyl]amino]-2-methylphenyl]azobenzenesulfonate
OPENEYE Name: disodium 4-[5-methoxy-4-[[2-methoxy-5-methyl-4-(4-sulfonatophenyl)azo-phenyl]carbamoylamino]-2-methyl-phenyl]azobenzenesulfonate
IUPAC Name: disodium 4-[[5-methoxy-4-[[2-methoxy-5-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]-2-methylphenyl]diazenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 4-[[5-methoxy-4-[[2-methoxy-5-methyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]-2-methyl-phenyl]diazenyl]benzenesulfonate
MOLECULAR FORMULA: C29H26N6Na2O9S2
MOLECULAR WEIGHT: 712.66108
SMILES: CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])OC)NC(=O)NC3=C(C=C(C(=C3)C)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])OC.[Na+].[Na+]
CAS RN: 25182-44-9
CAS Name: chromium(3+); 2-methyl-2-propenoate
OPENEYE Name: chromic 2-methylprop-2-enoate
IUPAC Name: chromium(3+); 2-methylprop-2-enoate
SYSTEMATIC NAME: chromium(3+); 2-methylprop-2-enoate
MOLECULAR FORMULA: C12H15CrO6
MOLECULAR WEIGHT: 307.24
SMILES: CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].[Cr+3]
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