CAS RN: 58416-08-3
CAS Name: 3-[(5E)-5-[[3-ethenyl-5-[(E)-[(5Z)-3-ethenyl-5-[[4-(3-methoxy-3-oxopropyl)-3-methyl-5-oxo-2-pyrrolyl]methylidene]-4-methyl-2-pyrrolylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxo-3-pyrrolyl]propanoic acid methyl ester
OPENEYE Name: methyl 3-[(5E)-5-[[5-[(E)-[(5Z)-5-[[4-(3-methoxy-3-oxo-propyl)-3-methyl-5-oxo-pyrrol-2-yl]methylene]-4-methyl-3-vinyl-pyrrol-2-ylidene]methyl]-4-methyl-3-vinyl-1H-pyrrol-2-yl]methylene]-4-methyl-2-oxo-pyrrol-3-yl]propanoate
IUPAC Name: methyl 3-[(5E)-5-[[3-ethenyl-5-[(E)-[(5Z)-3-ethenyl-5-[[4-(3-methoxy-3-oxopropyl)-3-methyl-5-oxopyrrol-2-yl]methylidene]-4-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxopyrrol-3-yl]propanoate
SYSTEMATIC NAME: methyl 3-[(5E)-5-[[3-ethenyl-5-[(E)-[(5Z)-3-ethenyl-5-[[4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-5-oxidanylidene-pyrrol-2-yl]methylidene]-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxidanylidene-pyrrol-3-yl]prop
MOLECULAR FORMULA: C35H38N4O6
MOLECULAR WEIGHT: 610.69942
SMILES: CC\1=C(C(=O)N/C1=C/C2=C(C(=C(N2)/C=C/3\C(=C(/C(=C/C4=NC(=O)C(=C4C)CCC(=O)OC)/N3)C)C=C)C)C=C)CCC(=O)OC
Structure:
CAS RN: 26195-58-4
CAS Name: 3-[(2Z,5E)-5-[[3-ethenyl-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-2-[[3-(3-methoxy-3-oxopropyl)-4-methyl-5-oxo-2-pyrrolyl]methylidene]-4-methyl-3-pyrrolyl]propanoic acid methyl ester
OPENEYE Name: methyl 3-[(2Z,5E)-2-[[3-(3-methoxy-3-oxo-propyl)-4-methyl-5-oxo-pyrrol-2-yl]methylene]-4-methyl-5-[[4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-3-vinyl-1H-pyrrol-2-yl]methylene]pyrrol-3-yl]propanoate
IUPAC Name: methyl 3-[(2Z,5E)-5-[[3-ethenyl-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-2-[[3-(3-methoxy-3-oxopropyl)-4-methyl-5-oxopyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate
SYSTEMATIC NAME: methyl 3-[(2Z,5E)-5-[[3-ethenyl-5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-2-[[3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-5-oxidanylidene-pyrrol-2-yl]methylidene]-4-methyl-pyrrol-3-yl]propan
MOLECULAR FORMULA: C35H38N4O6
MOLECULAR WEIGHT: 610.69942
SMILES: CC\1=C(/C(=C/C2=NC(=O)C(=C2CCC(=O)OC)C)/N/C1=C/C3=C(C(=C(N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)C=C)CCC(=O)OC
Structure:
CAS RN: 26056-69-9
CAS Name: 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-24-hydroxy-3,7,12,16,20,24-hexamethyl-pentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C40H54O2
MOLECULAR WEIGHT: 566.85556
SMILES: CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)O)/C)/C
Structure:
CAS RN: 24769-92-4
CAS Name: 3-[(2Z)-2-[[5-[(E)-[(5E)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxo-2-pyrrolyl)methylidene]-3-methyl-2-pyrrolylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxo-3-pyrrolyl]propanoic acid methyl ester
OPENEYE Name: methyl 3-[(2Z)-2-[[3-(3-methoxy-3-oxo-propyl)-4-methyl-5-[(E)-[(5E)-3-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-2-yl)methylene]-4-vinyl-pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methylene]-4-methyl-5-oxo-pyrrol-3-yl]propanoate
IUPAC Name: methyl 3-[(2Z)-2-[[5-[(E)-[(5E)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoate
SYSTEMATIC NAME: methyl 3-[(2Z)-2-[[5-[(E)-[(5E)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methylidene]-3-methyl-pyrrol-2-ylidene]methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxidanylidene-pyrrol-3-yl]prop
MOLECULAR FORMULA: C35H38N4O6
MOLECULAR WEIGHT: 610.69942
SMILES: CC1=C(/C(=C/C2=C(C(=C(N2)/C=C/3\C(=C(/C(=C\C4=NC(=O)C(=C4C)C=C)/N3)C=C)C)C)CCC(=O)OC)/NC1=O)CCC(=O)OC
Structure:
CAS RN: 23369-64-4
CAS Name: 4-[(E)-2-phenylethenyl]-1-(phenylmethyl)pyridin-1-ium chloride
OPENEYE Name: 1-benzyl-4-[(E)-styryl]pyridin-1-ium chloride
IUPAC Name: 1-benzyl-4-[(E)-2-phenylethenyl]pyridin-1-ium chloride
SYSTEMATIC NAME: 4-[(E)-2-phenylethenyl]-1-(phenylmethyl)pyridin-1-ium chloride
MOLECULAR FORMULA: C20H18ClN
MOLECULAR WEIGHT: 307.81662
SMILES: C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)/C=C/C3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 22429-66-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H68MgN4O5
MOLECULAR WEIGHT: 889.45722
SMILES: CC1=C(C2=C3C(C(=C4C3=NC(=C4C)C=C5C(=C(C(=N5)C=C6C(=C(C(=N6)C=C1[N-]2)C)C=C)C)C=C)[O-])C(=O)OC)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C.[Mg+2]
Structure:
CAS RN: 22356-23-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H43NO13
MOLECULAR WEIGHT: 709.73622
SMILES: C[C@@H]1[C@H](/C=C\O[C@@]2(C(=O)C3=C4C(=O)CC(C(=O)C4=C(C(=C3O2)C)O)NC(=O)/C(=C\C(=O)[C@@H]5C[C@@H]5[C@@H](/C(=C(\[C@H]([C@@H]1OC(=O)C)C)/O)/C)O)/C)C)OC
Structure:
CAS RN: 20509-23-3
CAS Name: (3R,5Z,7S,9R,11Z,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-5,11-diene-2,4,10-trione
OPENEYE Name: (3R,5Z,7S,9R,11Z,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-5,11-diene-2,4,10-trione
IUPAC Name: (3R,5Z,7S,9R,11Z,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-5,11-diene-2,4,10-trione
SYSTEMATIC NAME: (3R,5Z,7S,9R,11Z,13S,14R)-14-ethyl-3,5,7,9,13-pentamethyl-13-oxidanyl-1-oxacyclotetradeca-5,11-diene-2,4,10-trione
MOLECULAR FORMULA: C20H30O5
MOLECULAR WEIGHT: 350.4492
SMILES: CC[C@@H]1[C@@](/C=C\C(=O)[C@@H](C[C@@H](/C=C(\C(=O)[C@H](C(=O)O1)C)/C)C)C)(C)O
Structure:
CAS RN: 19866-02-5
CAS Name: (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethyl-1-cyclohex-2-enone
OPENEYE Name: (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
IUPAC Name: (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: (6S)-2,4,4-trimethyl-6-oxidanyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-[(4S)-2,6,6-trimethyl-4-oxidanyl-3-oxidanylidene-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-2-en-1-one
MOLECULAR FORMULA: C40H50O4
MOLECULAR WEIGHT: 594.8226
SMILES: CC1=C(C(C[C@@H](C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C#CC2=C(C(=O)[C@H](CC2(C)C)O)C)/C)/C
Structure:
CAS RN: 14111-16-1
CAS Name: (E)-2-butenedioic acid; 3,5-dibromo-4-[2-(dimethylamino)ethoxy]aniline
OPENEYE Name: 3,5-dibromo-4-[2-(dimethylamino)ethoxy]aniline; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3,5-dibromo-4-[2-(dimethylamino)ethoxy]aniline
SYSTEMATIC NAME: 3,5-bis(bromanyl)-4-[2-(dimethylamino)ethoxy]aniline; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C14H18Br2N2O5
MOLECULAR WEIGHT: 454.11112
SMILES: CN(C)CCOC1=C(C=C(C=C1Br)N)Br.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 13963-62-7
CAS Name: cobalt(3+); 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide; cyanide; hydroxide; hydrate
OPENEYE Name: cobaltic 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxo-ethyl)-3,13-bis(3-amino-3-oxo-propyl)-17-[3-(2-hydroxypropylamino)-3-oxo-propyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide cyanide hydroxide hydrate
IUPAC Name: cobalt(3+); 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide; cyanide; hydroxide; hydrate
SYSTEMATIC NAME: cobalt(3+); 3-[(5Z,10Z,15Z)-2,7,18-tris(2-azanyl-2-oxidanylidene-ethyl)-3,13-bis(3-azanyl-3-oxidanylidene-propyl)-1,2,5,7,12,12,15,17-octamethyl-17-[3-oxidanylidene-3-(2-oxidanylpropylamino)propyl]-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide; c
MOLECULAR FORMULA: C49H75CoN12O10
MOLECULAR WEIGHT: 1051.1274
SMILES: C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)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)CCC(=O)NCC(C)O.[C-]#N.O.[OH-].[Co+3]
Structure:
CAS RN: 13673-88-6
CAS Name: (E)-11-octadecenethioic acid S-[2-[[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester
OPENEYE Name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-octadec-11-enethioate
IUPAC Name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-octadec-11-enethioate
SYSTEMATIC NAME: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (E)-octadec-11-enethioate
MOLECULAR FORMULA: C39H68N7O17P3S
MOLECULAR WEIGHT: 1031.980203
SMILES: CCCCCC/C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
Structure:
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