CAS RN: 106710-56-9
CAS Name: (1E,3E)-2-methyl-4-[(1-oxo-2-phenylethyl)hydrazo]-1-penta-1,3-dienesulfonic acid
OPENEYE Name: (1E,3E)-2-methyl-4-[2-(2-phenylacetyl)hydrazino]penta-1,3-diene-1-sulfonic acid
IUPAC Name: (1E,3E)-2-methyl-4-[2-(2-phenylacetyl)hydrazinyl]penta-1,3-diene-1-sulfonic acid
SYSTEMATIC NAME: (1E,3E)-2-methyl-4-[2-(2-phenylethanoyl)hydrazinyl]penta-1,3-diene-1-sulfonic acid
MOLECULAR FORMULA: C14H18N2O4S
MOLECULAR WEIGHT: 310.36872
SMILES: C/C(=C\C(=C\S(=O)(=O)O)\C)/NNC(=O)CC1=CC=CC=C1
Structure:
CAS RN: 106621-85-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28O8
MOLECULAR WEIGHT: 420.45292
SMILES: CC(=O)O[C@@H]1[C@H]2[C@@H]\3[C@H](O[C@H]2O[C@H]1OC(=O)C)OC(=O)/C3=C/C=C\4/CCCC(C4)(C)C
Structure:
CAS RN: 106534-60-5
CAS Name: 2-[(1E,6E,8E,10E)-13-(3-furanyl)-2,6,10-trimethyltrideca-1,6,8,10-tetraenyl]-5-hydroxy-4-methyl-3-furanone
OPENEYE Name: 2-[(1E,6E,8E,10E)-13-(3-furyl)-2,6,10-trimethyl-trideca-1,6,8,10-tetraenyl]-5-hydroxy-4-methyl-furan-3-one
IUPAC Name: 2-[(1E,6E,8E,10E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-1,6,8,10-tetraenyl]-5-hydroxy-4-methylfuran-3-one
SYSTEMATIC NAME: 2-[(1E,6E,8E,10E)-13-(furan-3-yl)-2,6,10-trimethyl-trideca-1,6,8,10-tetraenyl]-4-methyl-5-oxidanyl-furan-3-one
MOLECULAR FORMULA: C25H32O4
MOLECULAR WEIGHT: 396.51918
SMILES: CC1=C(OC(C1=O)/C=C(\C)/CCC/C(=C/C=C/C(=C/CCC2=COC=C2)/C)/C)O
Structure:
CAS RN: 106533-41-9
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-methoxy-6-oxo-2-pyranyl)-3-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenoxy]-3-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-methoxy-6-oxo-pyran-2-yl)-3-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenoxy]tetrahydropyran-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-methoxy-6-oxopyran-2-yl)-3-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-methoxy-6-oxidanylidene-pyran-2-yl)-3-methyl-phenoxy]-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C34H38O17
MOLECULAR WEIGHT: 718.65532
SMILES: CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Structure:
CAS RN: 106500-23-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H45NO9
MOLECULAR WEIGHT: 611.7224
SMILES: C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1(C([C@]4([C@@H]3O[C@H]5C4=C([C@@H](C5)C6=CCNC6=O)C)C)CC(=O)OC)C)C)OC(=O)C
Structure:
CAS RN: 106483-69-6
CAS Name: (E,6S)-6-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-heptene-2,5-diol
OPENEYE Name: (E,6S)-6-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-3-ene-2,5-diol
IUPAC Name: (E,6S)-6-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-3-ene-2,5-diol
SYSTEMATIC NAME: (E,6S)-2-methyl-6-[(3S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-3-ene-2,5-diol
MOLECULAR FORMULA: C30H50O3
MOLECULAR WEIGHT: 458.7162
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(/C=C/C(C)(C)O)O
Structure:
CAS RN: 106463-75-6
CAS Name: (3Z,5Z,9S,10S,12S,13S,14Z,19S,20R)-9,10,12,13-tetrahydroxy-4,19-dimethyl-8,11,17-trimethylene-20-[(2R,3S)-3-[(2S)-pentan-2-yl]-2-oxiranyl]-1-oxacycloeicosa-3,5,14-trien-2-one
OPENEYE Name: (3Z,5Z,9S,10S,12S,13S,14Z,19S,20R)-9,10,12,13-tetrahydroxy-4,19-dimethyl-20-[(2R,3S)-3-[(1S)-1-methylbutyl]oxiran-2-yl]-8,11,17-trimethylene-1-oxacycloicosa-3,5,14-trien-2-one
IUPAC Name: (3Z,5Z,9S,10S,12S,13S,14Z,19S,20R)-9,10,12,13-tetrahydroxy-4,19-dimethyl-8,11,17-trimethylidene-20-[(2R,3S)-3-[(2S)-pentan-2-yl]oxiran-2-yl]-1-oxacycloicosa-3,5,14-trien-2-one
SYSTEMATIC NAME: (3Z,5Z,9S,10S,12S,13S,14Z,19S,20R)-4,19-dimethyl-8,11,17-trimethylidene-9,10,12,13-tetrakis(oxidanyl)-20-[(2R,3S)-3-[(2S)-pentan-2-yl]oxiran-2-yl]-1-oxacycloicosa-3,5,14-trien-2-one
MOLECULAR FORMULA: C31H46O7
MOLECULAR WEIGHT: 530.69274
SMILES: CCC[C@H](C)[C@H]1[C@@H](O1)[C@H]2[C@H](CC(=C)C/C=C\[C@@H]([C@H](C(=C)[C@@H]([C@H](C(=C)C/C=C\C(=C/C(=O)O2)\C)O)O)O)O)C
Structure:
CAS RN: 424828-97-7
CAS Name: (3Z,5Z,9S,10S,12S,13S,14Z,19S,20R)-9,10,12,13-tetrahydroxy-4,19-dimethyl-8,11,17-trimethylene-20-[(2R,3S)-3-[(2S)-pentan-2-yl]-2-oxiranyl]-1-oxacycloeicosa-3,5,14-trien-2-one
OPENEYE Name: (3Z,5Z,9S,10S,12S,13S,14Z,19S,20R)-9,10,12,13-tetrahydroxy-4,19-dimethyl-20-[(2R,3S)-3-[(1S)-1-methylbutyl]oxiran-2-yl]-8,11,17-trimethylene-1-oxacycloicosa-3,5,14-trien-2-one
IUPAC Name: (3Z,5Z,9S,10S,12S,13S,14Z,19S,20R)-9,10,12,13-tetrahydroxy-4,19-dimethyl-8,11,17-trimethylidene-20-[(2R,3S)-3-[(2S)-pentan-2-yl]oxiran-2-yl]-1-oxacycloicosa-3,5,14-trien-2-one
SYSTEMATIC NAME: (3Z,5Z,9S,10S,12S,13S,14Z,19S,20R)-4,19-dimethyl-8,11,17-trimethylidene-9,10,12,13-tetrakis(oxidanyl)-20-[(2R,3S)-3-[(2S)-pentan-2-yl]oxiran-2-yl]-1-oxacycloicosa-3,5,14-trien-2-one
MOLECULAR FORMULA: C31H46O7
MOLECULAR WEIGHT: 530.69274
SMILES: CCC[C@H](C)[C@H]1[C@@H](O1)[C@H]2[C@H](CC(=C)C/C=C\[C@@H]([C@H](C(=C)[C@@H]([C@H](C(=C)C/C=C\C(=C/C(=O)O2)\C)O)O)O)O)C
Structure:
CAS RN: 106343-14-0
CAS Name: (2S)-4-[[(Z)-1,2-dichloroethenyl]thio]-2-(methylamino)butanoic acid
OPENEYE Name: (2S)-4-[(Z)-1,2-dichlorovinyl]sulfanyl-2-(methylamino)butanoic acid
IUPAC Name: (2S)-4-[(Z)-1,2-dichloroethenyl]sulfanyl-2-(methylamino)butanoic acid
SYSTEMATIC NAME: (2S)-4-[(Z)-1,2-bis(chloranyl)ethenyl]sulfanyl-2-(methylamino)butanoic acid
MOLECULAR FORMULA: C7H11Cl2NO2S
MOLECULAR WEIGHT: 244.13874
SMILES: CN[C@@H](CCS/C(=C/Cl)/Cl)C(=O)O
Structure:
CAS RN: 106200-28-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H94O33
MOLECULAR WEIGHT: 1283.31506
SMILES: CC(C)OC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(C)OC.C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H
Structure:
CAS RN: 106199-94-4
CAS Name: (E)-2-methyl-2-butenoic acid (3-methylcyclohexyl) ester
OPENEYE Name: (3-methylcyclohexyl) (E)-2-methylbut-2-enoate
IUPAC Name: (3-methylcyclohexyl) (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: (3-methylcyclohexyl) (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: C/C=C(\C)/C(=O)OC1CCCC(C1)C
Structure:
CAS RN: 106199-92-2
CAS Name: (E)-2-methyl-2-butenoic acid (3-methyl-1-cyclohex-2-enyl) ester
OPENEYE Name: (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate
IUPAC Name: (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: (3-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: C/C=C(\C)/C(=O)OC1CCCC(=C1)C
Structure:
CAS RN: 106199-91-1
CAS Name: (Z)-2-methyl-2-butenoic acid (3-methyl-1-cyclohex-2-enyl) ester
OPENEYE Name: (3-methylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate
IUPAC Name: (3-methylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: (3-methylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: C/C=C(/C)\C(=O)OC1CCCC(=C1)C
Structure:
CAS RN: 106199-87-5
CAS Name: (Z)-2-methyl-2-butenoic acid (3-formyl-2,4,4-trimethyl-1-cyclohexa-2,5-dienyl) ester
OPENEYE Name: (3-formyl-2,4,4-trimethyl-cyclohexa-2,5-dien-1-yl) (Z)-2-methylbut-2-enoate
IUPAC Name: (3-formyl-2,4,4-trimethylcyclohexa-2,5-dien-1-yl) (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: (3-methanoyl-2,4,4-trimethyl-cyclohexa-2,5-dien-1-yl) (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C/C=C(/C)\C(=O)OC1C=CC(C(=C1C)C=O)(C)C
Structure:
CAS RN: 106133-22-6
CAS Name: (E)-2-butenedioic acid; 1-(phenylmethyl)piperazine
OPENEYE Name: 1-benzylpiperazine; fumaric acid
IUPAC Name: 1-benzylpiperazine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(phenylmethyl)piperazine
MOLECULAR FORMULA: C19H24N2O8
MOLECULAR WEIGHT: 408.40246
SMILES: C1NCCN(C1)CC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 105866-29-3
CAS Name: 5-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 5-[(E)-6,7-dihydroxy-3,7-dimethyl-oct-2-enoxy]furo[3,2-g]chromen-7-one
IUPAC Name: 5-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]furo[3,2-g]chromen-7-one
SYSTEMATIC NAME: 5-[(E)-3,7-dimethyl-6,7-bis(oxidanyl)oct-2-enoxy]furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C21H24O6
MOLECULAR WEIGHT: 372.41166
SMILES: C/C(=C\COC1=CC(=O)OC2=C1C=C3C=COC3=C2)/CCC(C(C)(C)O)O
Structure:
CAS RN: 105846-98-8
CAS Name: (Z)-7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(4R,5S)-4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid
MOLECULAR FORMULA: C19H26O5
MOLECULAR WEIGHT: 334.40674
SMILES: CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2O)C/C=C\CCCC(=O)O)C
Structure:
CAS RN: 105742-71-0
CAS Name: [(1S,4Z,8Z,10R,11S)-4,8,11-trimethyl-11-bicyclo[8.1.0]undeca-4,8-dienyl]methanol
OPENEYE Name: [(1S,4Z,8Z,10R,11S)-4,8,11-trimethyl-11-bicyclo[8.1.0]undeca-4,8-dienyl]methanol
IUPAC Name: [(1S,4Z,8Z,10R,11S)-4,8,11-trimethyl-11-bicyclo[8.1.0]undeca-4,8-dienyl]methanol
SYSTEMATIC NAME: [(1S,4Z,8Z,10R,11S)-4,8,11-trimethyl-11-bicyclo[8.1.0]undeca-4,8-dienyl]methanol
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: C/C/1=C/CC/C(=C\[C@@H]2[C@@H]([C@]2(C)CO)CC1)/C
Structure:
CAS RN: 105661-18-5
CAS Name: (E)-4-[(3R,4aR,5S,6R,6aR,6aS,6bR,12aR,14bR)-3,4,5,6,10-pentahydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-3-(3-methylbut-2-enyl)-1,5,6,6a,7,8,8a,12,13,14b-decahydropicen-4-yl]-2-methyl-2-butenoic acid
OPENEYE Name: (E)-4-[(3R,4aR,5S,6R,6aR,6aS,6bR,12aR,14bR)-3,4,5,6,10-pentahydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-3-(3-methylbut-2-enyl)-1,5,6,6a,7,8,8a,12,13,14b-decahydropicen-4-yl]-2-methyl-but-2-enoic acid
IUPAC Name: (E)-4-[(3R,4aR,5S,6R,6aR,6aS,6bR,12aR,14bR)-3,4,5,6,10-pentahydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-3-(3-methylbut-2-enyl)-1,5,6,6a,7,8,8a,12,13,14b-decahydropicen-4-yl]-2-methylbut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[(3R,4aR,5S,6R,6aR,6aS,6bR,12aR,14bR)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-3-(3-methylbut-2-enyl)-3,4,5,6,10-pentakis(oxidanyl)-1,5,6,6a,7,8,8a,12,13,14b-decahydropicen-4-yl]-2-methyl-but-2-enoic acid
MOLECULAR FORMULA: C40H62O8
MOLECULAR WEIGHT: 670.91548
SMILES: CC(=CC[C@]1(C(C[C@@H]2C3=CC[C@H]4[C@]([C@@]3([C@H]([C@H]([C@]2(C1(C/C=C(\C)/C(=O)O)O)CO)O)O)C)(CCC5[C@@]4(CC=C(C5(C)C)O)C)C)(C)C)O)C
Structure:
CAS RN: 105608-26-2
CAS Name: 4-hydroxybenzoic acid [(3S,3aS,4S,8R,8aS)-3-hydroxy-6,8a-dimethyl-8-[(E)-2-methyl-1-oxobut-2-enoxy]-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] ester
OPENEYE Name: [(3S,3aS,4S,8R,8aS)-3-hydroxy-3-isopropyl-6,8a-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
IUPAC Name: [(3S,3aS,4S,8R,8aS)-3-hydroxy-6,8a-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
SYSTEMATIC NAME: [(3S,3aS,4S,8R,8aS)-6,8a-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-3-oxidanyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C27H36O6
MOLECULAR WEIGHT: 456.57114
SMILES: C/C=C(\C)/C(=O)O[C@@H]1C=C(C[C@@H]([C@@H]2[C@@]1(CC[C@@]2(C(C)C)O)C)OC(=O)C3=CC=C(C=C3)O)C
Structure:
CAS RN: 105594-05-6
CAS Name: (E)-2-methyl-2-butenoic acid [(1R,3S,3aS,4S,8R,8aR)-8-acetyloxy-3-hydroxy-6,8a-dimethyl-1-[(Z)-2-methyl-1-oxobut-2-enoxy]-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] ester
OPENEYE Name: [(1R,3S,3aS,4S,8R,8aR)-8-acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3a,4,5,8-hexahydroazulen-4-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(1R,3S,3aS,4S,8R,8aR)-8-acetyloxy-3-hydroxy-6,8a-dimethyl-1-[(Z)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1R,3S,3aS,4S,8R,8aR)-8-acetyloxy-6,8a-dimethyl-1-[(Z)-2-methylbut-2-enoyl]oxy-3-oxidanyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C27H40O7
MOLECULAR WEIGHT: 476.6023
SMILES: C/C=C(\C)/C(=O)O[C@H]1CC(=C[C@H]([C@@]2([C@@H]1[C@](C[C@H]2OC(=O)/C(=C\C)/C)(C(C)C)O)C)OC(=O)C)C
Structure:
CAS RN: 105579-72-4
CAS Name: (E)-N-(2-methylpropyl)dec-8-en-5-ynamide
OPENEYE Name: (E)-N-isobutyldec-8-en-5-ynamide
IUPAC Name: (E)-N-(2-methylpropyl)dec-8-en-5-ynamide
SYSTEMATIC NAME: (E)-N-(2-methylpropyl)dec-8-en-5-ynamide
MOLECULAR FORMULA: C14H23NO
MOLECULAR WEIGHT: 221.33852
SMILES: C/C=C/CC#CCCCC(=O)NCC(C)C
Structure:
CAS RN: 105566-70-9
CAS Name: (E)-2-butenedioic acid; 10-fluoro-3-methyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
OPENEYE Name: 10-fluoro-3-methyl-7-(2-thienyl)-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 10-fluoro-3-methyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 10-fluoranyl-3-methyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
MOLECULAR FORMULA: C25H26FN3O8S
MOLECULAR WEIGHT: 547.552643
SMILES: CN1CC2N(C3=C(C(=NC2)C4=CC=CS4)C=CC(=C3)F)CC1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 105466-97-5
CAS Name: 3-[[(Z)-1,2-dichloroethenyl]thio]-2-oxopropanoic acid
OPENEYE Name: 3-[(Z)-1,2-dichlorovinyl]sulfanyl-2-oxo-propanoic acid
IUPAC Name: 3-[(Z)-1,2-dichloroethenyl]sulfanyl-2-oxopropanoic acid
SYSTEMATIC NAME: 3-[(Z)-1,2-bis(chloranyl)ethenyl]sulfanyl-2-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C5H4Cl2O3S
MOLECULAR WEIGHT: 215.05446
SMILES: C(C(=O)C(=O)O)S/C(=C/Cl)/Cl
Structure:
CAS RN: 105334-00-7
CAS Name: 2-[[(2R)-2-amino-3-[[(Z)-1,2-dichloroethenyl]thio]-1-oxopropyl]amino]acetic acid
OPENEYE Name: 2-[[(2R)-2-amino-3-[(Z)-1,2-dichlorovinyl]sulfanyl-propanoyl]amino]acetic acid
IUPAC Name: 2-[[(2R)-2-amino-3-[(Z)-1,2-dichloroethenyl]sulfanylpropanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2R)-2-azanyl-3-[(Z)-1,2-bis(chloranyl)ethenyl]sulfanyl-propanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C7H10Cl2N2O3S
MOLECULAR WEIGHT: 273.1369
SMILES: C([C@@H](C(=O)NCC(=O)O)N)S/C(=C/Cl)/Cl
Structure:
CAS RN: 105307-23-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H30O10
MOLECULAR WEIGHT: 478.489
SMILES: C/C=C(\C)/C(=O)OC1CC(C(=O)CCC2(C(O2)C3C1=C(C(=O)O3)COC(=O)C)C)(C)OC(=O)C
Structure:
No comments:
Post a Comment