CAS RN: 101858-84-8
CAS Name: (1R,2S)-2-[(E)-4-[(2,4-dichlorophenyl)methoxy]-3-methylbut-2-enyl]-1-cyclohexanol
OPENEYE Name: (1R,2S)-2-[(E)-4-[(2,4-dichlorophenyl)methoxy]-3-methyl-but-2-enyl]cyclohexanol
IUPAC Name: (1R,2S)-2-[(E)-4-[(2,4-dichlorophenyl)methoxy]-3-methylbut-2-enyl]cyclohexan-1-ol
SYSTEMATIC NAME: (1R,2S)-2-[(E)-4-[(2,4-dichlorophenyl)methoxy]-3-methyl-but-2-enyl]cyclohexan-1-ol
MOLECULAR FORMULA: C18H24Cl2O2
MOLECULAR WEIGHT: 343.28796
SMILES: C/C(=C\C[C@@H]1CCCC[C@H]1O)/COCC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 101858-81-5
CAS Name: (1S,2R)-2-[(E)-4-phenylmethoxybut-2-enyl]-1-cyclohexanol
OPENEYE Name: (1S,2R)-2-[(E)-4-benzyloxybut-2-enyl]cyclohexanol
IUPAC Name: (1S,2R)-2-[(E)-4-phenylmethoxybut-2-enyl]cyclohexan-1-ol
SYSTEMATIC NAME: (1S,2R)-2-[(E)-4-phenylmethoxybut-2-enyl]cyclohexan-1-ol
MOLECULAR FORMULA: C17H24O2
MOLECULAR WEIGHT: 260.37126
SMILES: C1CC[C@@H]([C@H](C1)C/C=C/COCC2=CC=CC=C2)O
Structure:
CAS RN: 101858-79-1
CAS Name: (1S,2R)-2-[(E)-but-2-enyl]-1-cyclohexanol
OPENEYE Name: (1S,2R)-2-[(E)-but-2-enyl]cyclohexanol
IUPAC Name: (1S,2R)-2-[(E)-but-2-enyl]cyclohexan-1-ol
SYSTEMATIC NAME: (1S,2R)-2-[(E)-but-2-enyl]cyclohexan-1-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: C/C=C/C[C@H]1CCCC[C@@H]1O
Structure:
CAS RN: 101560-00-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H46O16
MOLECULAR WEIGHT: 710.71944
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@]45C2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
Structure:
CAS RN: 101550-96-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H72N4O14
MOLECULAR WEIGHT: 941.11438
SMILES: CC1CC(CC(=O)OC(C(C(C/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(C1)O)C)OC)OC)C)CC(C(C)CCC(=O)C(C)C(C(C)/C=C/N(C)C=O)OC)OC)OC(=O)C
Structure:
CAS RN: 101550-95-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H70N4O13
MOLECULAR WEIGHT: 899.0777
SMILES: CC1CC(CC(=O)OC(C(C(C/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(C1)O)C)OC)OC)C)CC(C(C)CCC(=O)C(C)C(C(C)/C=C/N(C)C=O)OC)OC)O
Structure:
CAS RN: 101550-94-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H69N5O14
MOLECULAR WEIGHT: 928.07586
SMILES: CC1CC(CC(=O)OC(C(C(C/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(C1)O)C)OC)O)C)CC(C(C)CCC(=O)C(C)C(C(C)/C=C/N(C)C=O)OC)OC)OC(=O)N
Structure:
CAS RN: 101550-93-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H71N5O15
MOLECULAR WEIGHT: 958.10184
SMILES: CC1CC(CC(=O)OC(C(C(C/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(C1)O)CO)OC)OC)C)CC(C(C)CCC(=O)C(C)C(C(C)/C=C/N(C)C=O)OC)OC)OC(=O)N
Structure:
CAS RN: 101241-19-4
CAS Name: (E)-3-phenyl-2-propenoic acid [8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-[[5-[[5-[[5-[(5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-1,2,3,4,7,9,
OPENEYE Name: [8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,
IUPAC Name: [8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phen
SYSTEMATIC NAME: [17-(1-hydroxyethyl)-3-[4-methoxy-5-[4-methoxy-5-[4-methoxy-5-(4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-8,14,17-tris(oxidanyl)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopen
MOLECULAR FORMULA: C58H88O19
MOLECULAR WEIGHT: 1089.30792
SMILES: CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(C)O)O)C)OC(=O)/C=C/C9=CC=CC=C9)C)C)C)C)OC)O
Structure:
CAS RN: 101241-18-3
CAS Name: (2S)-7-(hydroxymethyl)-5-methoxy-2-[(E)-4-oxopent-2-enyl]-3,4-dihydro-2H-1-benzopyran-8-carboxylic acid
OPENEYE Name: (2S)-7-(hydroxymethyl)-5-methoxy-2-[(E)-4-oxopent-2-enyl]chromane-8-carboxylic acid
IUPAC Name: (2S)-7-(hydroxymethyl)-5-methoxy-2-[(E)-4-oxopent-2-enyl]-3,4-dihydro-2H-chromene-8-carboxylic acid
SYSTEMATIC NAME: (2S)-7-(hydroxymethyl)-5-methoxy-2-[(E)-4-oxidanylidenepent-2-enyl]-3,4-dihydro-2H-chromene-8-carboxylic acid
MOLECULAR FORMULA: C17H20O6
MOLECULAR WEIGHT: 320.3371
SMILES: CC(=O)/C=C/C[C@@H]1CCC2=C(C=C(C(=C2O1)C(=O)O)CO)OC
Structure:
CAS RN: 101241-17-2
CAS Name: 2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-1-oxoocta-2,4-dienyl]benzoic acid
OPENEYE Name: 2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-octa-2,4-dienoyl]benzoic acid
IUPAC Name: 2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-octa-2,4-dienoyl]benzoic acid
SYSTEMATIC NAME: 6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-octa-2,4-dienoyl]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C17H20O6
MOLECULAR WEIGHT: 320.3371
SMILES: CCC/C=C/C=C/C(=O)C1=C(C=C(C(=C1O)C(=O)O)CO)OC
Structure:
CAS RN: 100757-58-2
CAS Name: (2Z)-2-[(4R,5S,6S)-5-hydroxy-4-methoxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-cyclohex-2-enylidene]acetonitrile
OPENEYE Name: (2Z)-2-[(4R,5S,6S)-5-hydroxy-4-methoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohex-2-en-1-ylidene]acetonitrile
IUPAC Name: (2Z)-2-[(4R,5S,6S)-5-hydroxy-4-methoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
SYSTEMATIC NAME: (2Z)-2-[(4R,5S,6S)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-5-oxidanyl-cyclohex-2-en-1-ylidene]ethanenitrile
MOLECULAR FORMULA: C15H21NO8
MOLECULAR WEIGHT: 343.32914
SMILES: CO[C@@H]1C=C/C(=C/C#N)/[C@@H]([C@H]1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 100742-29-8
CAS Name: 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-8-(3-methylbut-2-enyl)-1-benzopyran-2-one
OPENEYE Name: 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-8-(3-methylbut-2-enyl)chromen-2-one
IUPAC Name: 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-8-(3-methylbut-2-enyl)chromen-2-one
SYSTEMATIC NAME: 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-8-(3-methylbut-2-enyl)chromen-2-one
MOLECULAR FORMULA: C24H30O3
MOLECULAR WEIGHT: 366.4932
SMILES: CC(=CCC/C(=C/COC1=C(C2=C(C=C1)C=CC(=O)O2)CC=C(C)C)/C)C
Structure:
CAS RN: 100695-67-8
CAS Name: 2-[(E)-3,7-dimethyl-7-(2-methylpentoxy)oct-2-enyl]-1-methylbenzimidazole
OPENEYE Name: 2-[(E)-3,7-dimethyl-7-(2-methylpentoxy)oct-2-enyl]-1-methyl-benzimidazole
IUPAC Name: 2-[(E)-3,7-dimethyl-7-(2-methylpentoxy)oct-2-enyl]-1-methylbenzimidazole
SYSTEMATIC NAME: 2-[(E)-3,7-dimethyl-7-(2-methylpentoxy)oct-2-enyl]-1-methyl-benzimidazole
MOLECULAR FORMULA: C24H38N2O
MOLECULAR WEIGHT: 370.57132
SMILES: CCCC(C)COC(C)(C)CCC/C(=C/CC1=NC2=CC=CC=C2N1C)/C
Structure:
CAS RN: 100695-66-7
CAS Name: 2-[(E)-3,7-dimethyl-7-pentoxyoct-2-enyl]-1-methylbenzimidazole
OPENEYE Name: 2-[(E)-3,7-dimethyl-7-pentoxy-oct-2-enyl]-1-methyl-benzimidazole
IUPAC Name: 2-[(E)-3,7-dimethyl-7-pentoxyoct-2-enyl]-1-methylbenzimidazole
SYSTEMATIC NAME: 2-[(E)-3,7-dimethyl-7-pentoxy-oct-2-enyl]-1-methyl-benzimidazole
MOLECULAR FORMULA: C23H36N2O
MOLECULAR WEIGHT: 356.54474
SMILES: CCCCCOC(C)(C)CCC/C(=C/CC1=NC2=CC=CC=C2N1C)/C
Structure:
CAS RN: 100695-65-6
CAS Name: 2-[(E)-3,7-dimethyl-7-(2-methylpropoxy)oct-2-enyl]-1-methylbenzimidazole
OPENEYE Name: 2-[(E)-7-isobutoxy-3,7-dimethyl-oct-2-enyl]-1-methyl-benzimidazole
IUPAC Name: 2-[(E)-3,7-dimethyl-7-(2-methylpropoxy)oct-2-enyl]-1-methylbenzimidazole
SYSTEMATIC NAME: 2-[(E)-3,7-dimethyl-7-(2-methylpropoxy)oct-2-enyl]-1-methyl-benzimidazole
MOLECULAR FORMULA: C22H34N2O
MOLECULAR WEIGHT: 342.51816
SMILES: CC(C)COC(C)(C)CCC/C(=C/CC1=NC2=CC=CC=C2N1C)/C
Structure:
CAS RN: 100695-64-5
CAS Name: 2-[(E)-7-ethoxy-3,7-dimethyloct-2-enyl]-1-methylbenzimidazole
OPENEYE Name: 2-[(E)-7-ethoxy-3,7-dimethyl-oct-2-enyl]-1-methyl-benzimidazole
IUPAC Name: 2-[(E)-7-ethoxy-3,7-dimethyloct-2-enyl]-1-methylbenzimidazole
SYSTEMATIC NAME: 2-[(E)-7-ethoxy-3,7-dimethyl-oct-2-enyl]-1-methyl-benzimidazole
MOLECULAR FORMULA: C20H30N2O
MOLECULAR WEIGHT: 314.465
SMILES: CCOC(C)(C)CCC/C(=C/CC1=NC2=CC=CC=C2N1C)/C
Structure:
CAS RN: 100695-63-4
CAS Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methylbenzimidazole
OPENEYE Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-benzimidazole
IUPAC Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methylbenzimidazole
SYSTEMATIC NAME: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-benzimidazole
MOLECULAR FORMULA: C18H24N2
MOLECULAR WEIGHT: 268.39656
SMILES: CC(=CCC/C(=C/CC1=NC2=CC=CC=C2N1C)/C)C
Structure:
CAS RN: 100695-62-3
CAS Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1H-benzimidazole
OPENEYE Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1H-benzimidazole
IUPAC Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1H-benzimidazole
SYSTEMATIC NAME: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1H-benzimidazole
MOLECULAR FORMULA: C17H22N2
MOLECULAR WEIGHT: 254.36998
SMILES: CC(=CCC/C(=C/CC1=NC2=CC=CC=C2N1)/C)C
Structure:
CAS RN: 100345-20-8
CAS Name: 8-methyl-3-[(E)-2-(2-methylphenyl)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane
OPENEYE Name: 8-methyl-3-[(E)-2-(o-tolyl)-2-phenyl-vinyl]-8-azabicyclo[3.2.1]octane
IUPAC Name: 8-methyl-3-[(E)-2-(2-methylphenyl)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane
SYSTEMATIC NAME: 8-methyl-3-[(E)-2-(2-methylphenyl)-2-phenyl-ethenyl]-8-azabicyclo[3.2.1]octane
MOLECULAR FORMULA: C23H27N
MOLECULAR WEIGHT: 317.46718
SMILES: CC1=CC=CC=C1/C(=C/C2CC3CCC(C2)N3C)/C4=CC=CC=C4
Structure:
CAS RN: 100303-39-7
CAS Name: (Z)-9-tetradecenoyl fluoride
OPENEYE Name: (Z)-tetradec-9-enoyl fluoride
IUPAC Name: (Z)-tetradec-9-enoyl fluoride
SYSTEMATIC NAME: (Z)-tetradec-9-enoyl fluoride
MOLECULAR FORMULA: C14H25FO
MOLECULAR WEIGHT: 228.346103
SMILES: CCCC/C=C\CCCCCCCC(=O)F
Structure:
CAS RN: 100278-86-2
CAS Name: (Z)-11-hexadecenoyl fluoride
OPENEYE Name: (Z)-hexadec-11-enoyl fluoride
IUPAC Name: (Z)-hexadec-11-enoyl fluoride
SYSTEMATIC NAME: (Z)-hexadec-11-enoyl fluoride
MOLECULAR FORMULA: C16H29FO
MOLECULAR WEIGHT: 256.399263
SMILES: CCCC/C=C\CCCCCCCCCC(=O)F
Structure:
CAS RN: 100045-74-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H74N4O16
MOLECULAR WEIGHT: 999.15046
SMILES: CC1CC(=O)CCCC(CC(=O)OC(C(C(C/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC1=CO4)OC)C)CC(C(C)CCC(C(C)C(C(C)/C=C/N(C)C=O)OC(=O)C)OC(=O)C(COC)OC)OC)O
Structure:
CAS RN: 100021-45-2
CAS Name: (E)-1-(3-pyridinyl)-2-buten-1-one
OPENEYE Name: (E)-1-(3-pyridyl)but-2-en-1-one
IUPAC Name: (E)-1-pyridin-3-ylbut-2-en-1-one
SYSTEMATIC NAME: (E)-1-pyridin-3-ylbut-2-en-1-one
MOLECULAR FORMULA: C9H9NO
MOLECULAR WEIGHT: 147.17386
SMILES: C/C=C/C(=O)C1=CN=CC=C1
Structure:
CAS RN: 100019-37-2
CAS Name: (Z)-11-[(2R)-2-[(E)-pent-3-enyl]-2-oxiranyl]-9-undecenoic acid
OPENEYE Name: (Z)-11-[(2R)-2-[(E)-pent-3-enyl]oxiran-2-yl]undec-9-enoic acid
IUPAC Name: (Z)-11-[(2R)-2-[(E)-pent-3-enyl]oxiran-2-yl]undec-9-enoic acid
SYSTEMATIC NAME: (Z)-11-[(2R)-2-[(E)-pent-3-enyl]oxiran-2-yl]undec-9-enoic acid
MOLECULAR FORMULA: C18H30O3
MOLECULAR WEIGHT: 294.429
SMILES: C/C=C/CC[C@]1(CO1)C/C=C\CCCCCCCC(=O)O
Structure:
CAS RN: 100014-94-6
CAS Name: acetic acid [(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] ester; acetic acid [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,
OPENEYE Name: [(E,5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydro
IUPAC Name: [(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydrox
SYSTEMATIC NAME: [(E,6R)-2-methyl-6-oxidanyl-5-oxidanylidene-6-[(8S,9R,10R,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-2,16-bis(oxidanyl)-3,11-bis(oxidanylidene)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] ethanoate; [(E,6R)-2-methyl-6-oxidan
MOLECULAR FORMULA: C64H90O16
MOLECULAR WEIGHT: 1115.3898
SMILES: CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O.CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)C)O)O
Structure:
CAS RN: 100009-94-7
CAS Name: (Z)-2-methyl-2-butenoic acid [(4S,4aS,5R,8aS)-8a-acetyloxy-5-hydroxy-3,4a,5-trimethyl-9-oxo-4,6,7,8-tetrahydrobenzo[f]benzofuran-4-yl] ester
OPENEYE Name: [(4S,4aS,5R,8aS)-8a-acetoxy-5-hydroxy-3,4a,5-trimethyl-9-oxo-4,6,7,8-tetrahydrobenzo[f]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(4S,4aS,5R,8aS)-8a-acetyloxy-5-hydroxy-3,4a,5-trimethyl-9-oxo-4,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(4S,4aS,5R,8aS)-8a-acetyloxy-3,4a,5-trimethyl-5-oxidanyl-9-oxidanylidene-4,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C22H28O7
MOLECULAR WEIGHT: 404.45352
SMILES: C/C=C(/C)\C(=O)O[C@H]1C2=C(C(=O)[C@]3([C@@]1([C@](CCC3)(C)O)C)OC(=O)C)OC=C2C
Structure:
CAS RN: 98677-75-9
CAS Name: 4-[(E)-prop-1-enyl]acephenanthrylene
OPENEYE Name: 4-[(E)-prop-1-enyl]acephenanthrylene
IUPAC Name: 4-[(E)-prop-1-enyl]acephenanthrylene
SYSTEMATIC NAME: 4-[(E)-prop-1-enyl]acephenanthrylene
MOLECULAR FORMULA: C19H14
MOLECULAR WEIGHT: 242.31446
SMILES: C/C=C/C1=CC2=CC3=CC=CC=C3C4=C2C1=CC=C4
Structure:
CAS RN: 96612-50-9
CAS Name: (E)-2-butenedioate; chloroform; cyclopenta-1,3-diene; titanium(4+)
OPENEYE Name: (E)-but-2-enedioate; chloroform; cyclopenta-1,3-diene; titanium(4+)
IUPAC Name: (E)-but-2-enedioate; chloroform; cyclopenta-1,3-diene; titanium(4+)
SYSTEMATIC NAME: (E)-but-2-enedioate; cyclopenta-1,3-diene; titanium(4+); tris(chloranyl)methane
MOLECULAR FORMULA: C30H26Cl6O8Ti2
MOLECULAR WEIGHT: 822.97464
SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.C(=C/C(=O)[O-])\C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Ti+4].[Ti+4]
Structure:
CAS RN: 95507-03-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H44O16
MOLECULAR WEIGHT: 720.71426
SMILES: C/C=C(\C)/C(=O)O[C@@H]1C[C@H]([C@]2(CO[C@@H]3[C@H]2C14CO[C@@]([C@@H]4[C@]([C@@H]3O)(C)[C@@]56C7C[C@@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C
Structure:
CAS RN: 95494-10-3
CAS Name: (Z)-4-(hexylamino)-4-oxo-2-butenoic acid methyl ester
OPENEYE Name: methyl (Z)-4-(hexylamino)-4-oxo-but-2-enoate
IUPAC Name: methyl (Z)-4-(hexylamino)-4-oxobut-2-enoate
SYSTEMATIC NAME: methyl (Z)-4-(hexylamino)-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C11H19NO3
MOLECULAR WEIGHT: 213.27346
SMILES: CCCCCCNC(=O)/C=C\C(=O)OC
Structure:
CAS RN: 95118-44-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22ClNO
MOLECULAR WEIGHT: 291.81568
SMILES: CC1[C@H]2CC3=C([C@@]1(CCN2C/C=C\Cl)C)C=C(C=C3)O
Structure:
CAS RN: 91550-04-8
CAS Name: (6E,7S,8R,8aS)-6-[(E,2R,6R,7R)-6,7-dihydroxy-2,5-dimethyloct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
OPENEYE Name: (6E,7S,8R,8aS)-6-[(E,2R,6R,7R)-6,7-dihydroxy-2,5-dimethyl-oct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
IUPAC Name: (6E,7S,8R,8aS)-6-[(E,2R,6R,7R)-6,7-dihydroxy-2,5-dimethyloct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
SYSTEMATIC NAME: (6E,7S,8R,8aS)-6-[(E,2R,6R,7R)-2,5-dimethyl-6,7-bis(oxidanyl)oct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
MOLECULAR FORMULA: C19H33NO4
MOLECULAR WEIGHT: 339.46962
SMILES: C[C@H](C/C=C(\C)/[C@H]([C@@H](C)O)O)/C=C/1\CN2CCC[C@H]2[C@@]([C@H]1O)(C)O
Structure:
CAS RN: 91490-96-9
CAS Name: 5-[(E)-heptadec-1-enyl]benzene-1,3-diol
OPENEYE Name: 5-[(E)-heptadec-1-enyl]benzene-1,3-diol
IUPAC Name: 5-[(E)-heptadec-1-enyl]benzene-1,3-diol
SYSTEMATIC NAME: 5-[(E)-heptadec-1-enyl]benzene-1,3-diol
MOLECULAR FORMULA: C23H38O2
MOLECULAR WEIGHT: 346.54662
SMILES: CCCCCCCCCCCCCCC/C=C/C1=CC(=CC(=C1)O)O
Structure:
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