CAS RN: 93914-74-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28N2O4
MOLECULAR WEIGHT: 384.46872
SMILES: C/C=C/1\CN(C2CC3(C4CC1C2CO4)C5=C(C=C(C=C5)OC)N(C3=O)OC)C
Structure:
CAS RN: 92662-86-7
CAS Name: (E)-1-(8-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-5-yl)-3-(4-hydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(8-hydroxy-2,2-dimethyl-chroman-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(8-hydroxy-2,2-dimethyl-3,4-dihydrochromen-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(2,2-dimethyl-8-oxidanyl-3,4-dihydrochromen-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C20H20O4
MOLECULAR WEIGHT: 324.3704
SMILES: CC1(CCC2=C(C=CC(=C2O1)O)C(=O)/C=C/C3=CC=C(C=C3)O)C
Structure:
CAS RN: 92464-81-8
CAS Name: (E)-4-oxo-2-decenal
OPENEYE Name: (E)-4-oxodec-2-enal
IUPAC Name: (E)-4-oxodec-2-enal
SYSTEMATIC NAME: (E)-4-oxidanylidenedec-2-enal
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CCCCCCC(=O)/C=C/C=O
Structure:
CAS RN: 92262-61-8
CAS Name: (E)-N-(2-amino-2-oxoethyl)-2-propyl-2-pentenamide
OPENEYE Name: (E)-N-(2-amino-2-oxo-ethyl)-2-propyl-pent-2-enamide
IUPAC Name: (E)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide
SYSTEMATIC NAME: (E)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-propyl-pent-2-enamide
MOLECULAR FORMULA: C10H18N2O2
MOLECULAR WEIGHT: 198.26212
SMILES: CCC/C(=C\CC)/C(=O)NCC(=O)N
Structure:
CAS RN: 92202-54-5
CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid [(1S,4aS,6R,7S,7aS)-4-formyl-4a-hydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] ester
OPENEYE Name: [(1S,4aS,6R,7S,7aS)-4-formyl-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
IUPAC Name: [(1S,4aS,6R,7S,7aS)-4-formyl-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(1S,4aS,6R,7S,7aS)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methanoyl-7-methyl-4a-oxidanyl-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C26H32O12
MOLECULAR WEIGHT: 536.52508
SMILES: C[C@@H]1[C@@H](C[C@@]2([C@H]1[C@@H](OC=C2C=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)/C=C/C4=CC=C(C=C4)OC
Structure:
CAS RN: 92202-50-1
CAS Name: N-[(E)-(7-ethyl-8-purinyl)azo]-N-methylmethanamine
OPENEYE Name: N-[(E)-(7-ethylpurin-8-yl)azo]-N-methyl-methanamine
IUPAC Name: N-[(E)-(7-ethylpurin-8-yl)diazenyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[(E)-(7-ethylpurin-8-yl)diazenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C9H13N7
MOLECULAR WEIGHT: 219.24642
SMILES: CCN1C2=CN=CN=C2N=C1/N=N/N(C)C
Structure:
CAS RN: 92202-49-8
CAS Name: acetic acid [(E)-4-(5-thiophen-2-yl-2-thiophenyl)but-3-enyl] ester
OPENEYE Name: [(E)-4-[5-(2-thienyl)-2-thienyl]but-3-enyl] acetate
IUPAC Name: [(E)-4-(5-thiophen-2-ylthiophen-2-yl)but-3-enyl] acetate
SYSTEMATIC NAME: [(E)-4-(5-thiophen-2-ylthiophen-2-yl)but-3-enyl] ethanoate
MOLECULAR FORMULA: C14H14O2S2
MOLECULAR WEIGHT: 278.38976
SMILES: CC(=O)OCC/C=C/C1=CC=C(S1)C2=CC=CS2
Structure:
CAS RN: 92008-84-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O7
MOLECULAR WEIGHT: 376.40036
SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@@H]2C(C[C@@H](C3=CC(=O)[C@@]([C@@H]1O)(O3)C)C)OC(=O)C2=C
Structure:
CAS RN: 91919-94-7
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3S,4R,5R,6S)-6-[4-[cyano(hydroxy)methyl]phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl] ester
OPENEYE Name: [(2R,3S,4R,5R,6S)-6-[4-[cyano(hydroxy)methyl]phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: [(2R,3S,4R,5R,6S)-6-[4-[cyano(hydroxy)methyl]phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3S,4R,5R,6S)-6-[4-[cyano(oxidanyl)methyl]phenoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C23H23NO10
MOLECULAR WEIGHT: 473.42942
SMILES: C1=CC(=CC=C1C(C#N)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O
Structure:
CAS RN: 91794-13-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H48N4O2
MOLECULAR WEIGHT: 616.83472
SMILES: CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)C6CC\7C(C(CC8=C6NC9=CC=CC=C89)N(C/C7=C\C)C)C(=O)OC
Structure:
CAS RN: 91021-66-8
CAS Name: (3E,5E,11E,13Z)-16-[4-[4-[(4,5-dihydroxy-3-methoxy-6-methyl-2-oxanyl)oxy]-2-hydroxy-5-methyl-6-propan-2-yl-2-oxanyl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
OPENEYE Name: (3E,5E,11E,13Z)-16-[3-[4-(4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-2-hydroxy-6-isopropyl-5-methyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
IUPAC Name: (3E,5E,11E,13Z)-16-[4-[4-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-2-hydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
SYSTEMATIC NAME: (3E,5E,11E,13Z)-3,15-dimethoxy-16-[4-[4-[3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-methyl-2-oxidanyl-6-propan-2-yl-oxan-2-yl]-3-oxidanyl-pentan-2-yl]-5,7,9,11-tetramethyl-8-oxidanyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
MOLECULAR FORMULA: C42H70O13
MOLECULAR WEIGHT: 782.9974
SMILES: CC1C/C(=C/C=C\C(C(OC(=O)/C(=C\C(=C\C(C1O)C)\C)/OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)OC3C(C(C(C(O3)C)O)O)OC)O)O)OC)/C
Structure:
CAS RN: 90771-20-3
CAS Name: (5Z)-5-[(2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
OPENEYE Name: (5Z)-5-[(2-hydroxyphenyl)methylene]imidazolidine-2,4-dione
IUPAC Name: (5Z)-5-[(2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
SYSTEMATIC NAME: (5Z)-5-[(2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: C1=CC=C(C(=C1)/C=C\2/C(=O)NC(=O)N2)O
Structure:
CAS RN: 90509-05-0
CAS Name: 7-methoxy-8-[(1E)-3-methylbuta-1,3-dienyl]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 7-methoxy-8-[(1E)-3-methylbuta-1,3-dienyl]-2-phenyl-chroman-4-one
IUPAC Name: 7-methoxy-8-[(1E)-3-methylbuta-1,3-dienyl]-2-phenyl-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 7-methoxy-8-[(1E)-3-methylbuta-1,3-dienyl]-2-phenyl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C21H20O3
MOLECULAR WEIGHT: 320.3817
SMILES: CC(=C)/C=C/C1=C(C=CC2=C1OC(CC2=O)C3=CC=CC=C3)OC
Structure:
CAS RN: 90359-06-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H46O10
MOLECULAR WEIGHT: 590.70164
SMILES: CC1C2CC3(C(CC(/C(=C/C(=O)OC(CC(=O)O2)C(C)O)/O3)(C)O)(C)C)OC1C(C)CCC(C4=CC(=CC=C4)O)OC
Structure:
CAS RN: 90130-70-4
CAS Name: (3E,6E,9E,11E)-nonadeca-3,6,9,11-tetraene
OPENEYE Name: (3E,6E,9E,11E)-nonadeca-3,6,9,11-tetraene
IUPAC Name: (3E,6E,9E,11E)-nonadeca-3,6,9,11-tetraene
SYSTEMATIC NAME: (3E,6E,9E,11E)-nonadeca-3,6,9,11-tetraene
MOLECULAR FORMULA: C19H32
MOLECULAR WEIGHT: 260.45738
SMILES: CCCCCCC/C=C/C=C/C/C=C/C/C=C/CC
Structure:
CAS RN: 90053-70-6
CAS Name: (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-methyl-1-piperazinyl)-1-octadeca-4,8,12,16-tetraenone
OPENEYE Name: (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-methylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
IUPAC Name: (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-methylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
SYSTEMATIC NAME: (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-methylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
MOLECULAR FORMULA: C27H46N2O
MOLECULAR WEIGHT: 414.66694
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CCC(=O)N1CCN(CC1)C)/C)/C)/C)C
Structure:
CAS RN: 90053-69-3
CAS Name: (4E,8E)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-piperazinyl]-5,9,13-trimethyl-1-tetradeca-4,8,12-trienone
OPENEYE Name: (4E,8E)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazin-1-yl]-5,9,13-trimethyl-tetradeca-4,8,12-trien-1-one
IUPAC Name: (4E,8E)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazin-1-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-one
SYSTEMATIC NAME: (4E,8E)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]piperazin-1-yl]-5,9,13-trimethyl-tetradeca-4,8,12-trien-1-one
MOLECULAR FORMULA: C31H52N2O
MOLECULAR WEIGHT: 468.75738
SMILES: CC(=CCC/C(=C/CC/C(=C/CCC(=O)N1CCN(CC1)C/C=C(\C)/CCC=C(C)C)/C)/C)C
Structure:
CAS RN: 90053-68-2
CAS Name: (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid 3-(dimethylamino)propyl ester
OPENEYE Name: 3-(dimethylamino)propyl (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
IUPAC Name: 3-(dimethylamino)propyl (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
SYSTEMATIC NAME: 3-(dimethylamino)propyl (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
MOLECULAR FORMULA: C22H39NO2
MOLECULAR WEIGHT: 349.55056
SMILES: CC(=CCC/C(=C/CC/C(=C/CCC(=O)OCCCN(C)C)/C)/C)C
Structure:
CAS RN: 90052-74-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H46O10
MOLECULAR WEIGHT: 578.69094
SMILES: CCCC(=O)O[C@H]1CC/C(=C\[C@H]2[C@@]([C@H](C(=O)O2)C)([C@H]([C@@H]3[C@@]1([C@H]([C@@H](C=C3C)OC(=O)CC)OC(=O)CCC)C)O)O)/C
Structure:
CAS RN: 90052-73-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H44O10
MOLECULAR WEIGHT: 564.66436
SMILES: CCCCCC(=O)O[C@H]1CC/C(=C\[C@H]2[C@@]([C@H](C(=O)O2)C)([C@H]([C@@H]3[C@@]1([C@H]([C@@H](C=C3C)OC(=O)C)OC(=O)C)C)O)O)/C
Structure:
CAS RN: 90052-70-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H46O10
MOLECULAR WEIGHT: 578.69094
SMILES: CCCCCC(=O)O[C@H]1CC/C(=C\[C@H]2[C@@]([C@H](C(=O)O2)C)([C@H]([C@@H]3[C@@]1([C@H]([C@@H](C=C3C)OC(=O)C)OC(=O)CC)C)O)O)/C
Structure:
CAS RN: 90011-75-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H24ClF3O2
MOLECULAR WEIGHT: 448.90507
SMILES: CC1([C@H]([C@H]1C(=O)OCC2=CC=CC3=C2CCCC4=CC=CC=C43)/C=C(/C(F)(F)F)\Cl)C
Structure:
CAS RN: 89908-04-3
CAS Name: (Z)-2-(hydroxymethyl)-2-butenoic acid [(3aR,4R,6S,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [(3aR,4R,6S,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
IUPAC Name: [(3aR,4R,6S,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
SYSTEMATIC NAME: [(3aR,4R,6S,6aR,9aR,9bR)-6,9-dimethyl-3-methylidene-6-oxidanyl-2-oxidanylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: C/C=C(/CO)\C(=O)O[C@@H]1C[C@]([C@@H]2CC=C([C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)C)(C)O
Structure:
CAS RN: 89647-62-1
CAS Name: acetic acid [(E,6R)-6-[(3R,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] ester
OPENEYE Name: [(E,5R)-5-[(3R,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate
IUPAC Name: [(E,6R)-6-[(3R,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
SYSTEMATIC NAME: [(E,6R)-2-methyl-6-oxidanyl-5-oxidanylidene-6-[(3R,8S,9R,10R,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-3,16-bis(oxidanyl)-2,11-bis(oxidanylidene)-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] ethanoate
MOLECULAR FORMULA: C32H46O8
MOLECULAR WEIGHT: 558.70284
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]3CC(=O)[C@@H](C4(C)C)O)C)C)C)O)O
Structure:
CAS RN: 89138-85-2
CAS Name: cobalt(3+); [5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]pro
OPENEYE Name: cobaltic [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-
IUPAC Name: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoyla
SYSTEMATIC NAME: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-co
MOLECULAR FORMULA: C63H88CoN14O14P
MOLECULAR WEIGHT: 1355.365181
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
Structure:
CAS RN: 89117-94-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H21NO5
MOLECULAR WEIGHT: 355.38444
SMILES: CC1OC2=C(O1)C3=C(/C=C\C4CC(=O)C=C(C4/C(=C\NC3)/O)OC)C=C2
Structure:
CAS RN: 89116-68-7
CAS Name: (E)-9-[(2S,3S,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl]-2,6-dimethyl-3-nonen-5-one
OPENEYE Name: (E)-9-[(2S,3S,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,6-dimethyl-non-3-en-5-one
IUPAC Name: (E)-9-[(2S,3S,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,6-dimethylnon-3-en-5-one
SYSTEMATIC NAME: (E)-2,6-dimethyl-9-[(2S,3S,6E)-2-methyl-3-oxidanyl-6-(2-oxidanylethylidene)oxepan-2-yl]non-3-en-5-one
MOLECULAR FORMULA: C20H34O4
MOLECULAR WEIGHT: 338.48156
SMILES: CC(C)/C=C/C(=O)C(C)CCC[C@]1([C@H](CC/C(=C\CO)/CO1)O)C
Structure:
CAS RN: 88746-40-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: C/C=C/1\C[N+]2(CCC34C2CC1C(N3C5=CC=CC=C5C4=O)C(=O)OC)[O-]
Structure:
CAS RN: 107190-71-6
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-6-[[(3R,4R,5R,6S)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-3-yl]oxy]-4,5-dihydroxy-6-methyl-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6S)-6-[(3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[(3R,4R,5R,6S)-2-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C36H36O18
MOLECULAR WEIGHT: 756.66024
SMILES: C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)O)O
Structure:
CAS RN: 107190-70-5
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-6-[[(3R,4R,5R,6S)-2-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-4,5-dihydroxy-6-methyl-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6S)-6-[(3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[(3R,4R,5R,6S)-2-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C36H36O17
MOLECULAR WEIGHT: 740.66084
SMILES: C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)O)O
Structure:
CAS RN: 107077-73-6
CAS Name: (2R)-2-acetamido-3-[[(E)-3-chloroprop-2-enyl]thio]propanoic acid
OPENEYE Name: (2R)-2-acetamido-3-[(E)-3-chloroallyl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-acetamido-3-[(E)-3-chloroprop-2-enyl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-[(E)-3-chloranylprop-2-enyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C8H12ClNO3S
MOLECULAR WEIGHT: 237.70378
SMILES: CC(=O)N[C@@H](CSC/C=C/Cl)C(=O)O
Structure:
CAS RN: 106849-36-9
CAS Name:
OPENEYE Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H30O8
MOLECULAR WEIGHT: 434.4795
SMILES: CCC(=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: 106821-55-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H35NO11
MOLECULAR WEIGHT: 525.5455
SMILES: CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)/C(=C/C=O)/NC=O)(C(C)C)O)C)O)C)O
Structure:
CAS RN: 106818-54-6
CAS Name: (Z)-9-octadecenoic acid [(2R,3S,4S,5R)-3,4-dihydroxy-6-methoxy-5-[(Z)-1-oxooctadec-9-enoxy]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R)-3,4-dihydroxy-6-methoxy-5-[(Z)-octadec-9-enoyl]oxy-tetrahydropyran-2-yl]methyl (Z)-octadec-9-enoate
IUPAC Name: [(2R,3S,4S,5R)-3,4-dihydroxy-6-methoxy-5-[(Z)-octadec-9-enoyl]oxyoxan-2-yl]methyl (Z)-octadec-9-enoate
SYSTEMATIC NAME: [(2R,3S,4S,5R)-6-methoxy-5-[(Z)-octadec-9-enoyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methyl (Z)-octadec-9-enoate
MOLECULAR FORMULA: C43H78O8
MOLECULAR WEIGHT: 723.07462
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC)OC(=O)CCCCCCC/C=C\CCCCCCCC)O)O
Structure:
CAS RN: 106759-33-5
CAS Name: (E)-4-hydroxy-2-methyl-2-butenoic acid [(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-methyl-but-2-enoate
IUPAC Name: [(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
SYSTEMATIC NAME: [(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-3,6-dimethylidene-8,9-bis(oxidanyl)-2-oxidanylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate
MOLECULAR FORMULA: C20H25ClO7
MOLECULAR WEIGHT: 412.8613
SMILES: C/C(=C\CO)/C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H]([C@@]([C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)(CCl)O)O
Structure:
CAS RN: 106733-81-7
CAS Name: (1E,3E)-2-methyl-4-[[(4-methylphenyl)-oxomethyl]hydrazo]-1-penta-1,3-dienesulfonic acid
OPENEYE Name: (1E,3E)-2-methyl-4-[2-(4-methylbenzoyl)hydrazino]penta-1,3-diene-1-sulfonic acid
IUPAC Name: (1E,3E)-2-methyl-4-[2-(4-methylbenzoyl)hydrazinyl]penta-1,3-diene-1-sulfonic acid
SYSTEMATIC NAME: (1E,3E)-2-methyl-4-[2-(4-methylphenyl)carbonylhydrazinyl]penta-1,3-diene-1-sulfonic acid
MOLECULAR FORMULA: C14H18N2O4S
MOLECULAR WEIGHT: 310.36872
SMILES: CC1=CC=C(C=C1)C(=O)NN/C(=C/C(=C/S(=O)(=O)O)/C)/C
Structure:
CAS RN: 106710-58-1
CAS Name: (1E,3E)-2-methyl-4-[[oxo(pyridin-4-yl)methyl]hydrazo]-1-penta-1,3-dienesulfonic acid
OPENEYE Name: (1E,3E)-2-methyl-4-[2-(pyridine-4-carbonyl)hydrazino]penta-1,3-diene-1-sulfonic acid
IUPAC Name: (1E,3E)-2-methyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]penta-1,3-diene-1-sulfonic acid
SYSTEMATIC NAME: (1E,3E)-2-methyl-4-(2-pyridin-4-ylcarbonylhydrazinyl)penta-1,3-diene-1-sulfonic acid
MOLECULAR FORMULA: C12H15N3O4S
MOLECULAR WEIGHT: 297.3302
SMILES: C/C(=C\C(=C\S(=O)(=O)O)\C)/NNC(=O)C1=CC=NC=C1
Structure:
CAS RN: 106710-57-0
CAS Name: (1E,3E)-2-methyl-4-[[(4-nitrophenyl)-oxomethyl]hydrazo]-1-penta-1,3-dienesulfonic acid
OPENEYE Name: (1E,3E)-2-methyl-4-[2-(4-nitrobenzoyl)hydrazino]penta-1,3-diene-1-sulfonic acid
IUPAC Name: (1E,3E)-2-methyl-4-[2-(4-nitrobenzoyl)hydrazinyl]penta-1,3-diene-1-sulfonic acid
SYSTEMATIC NAME: (1E,3E)-2-methyl-4-[2-(4-nitrophenyl)carbonylhydrazinyl]penta-1,3-diene-1-sulfonic acid
MOLECULAR FORMULA: C13H15N3O6S
MOLECULAR WEIGHT: 341.3397
SMILES: C/C(=C\C(=C\S(=O)(=O)O)\C)/NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
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