Saturday, May 26, 2012

http://ChemLookup.com Compounds




CAS RN: 40316-60-7
CAS Name: 3,4-dihydro-2H-1-benzothiopyran-4-ol
OPENEYE Name: thiochroman-4-ol
IUPAC Name: 3,4-dihydro-2H-thiochromen-4-ol
SYSTEMATIC NAME: 3,4-dihydro-2H-thiochromen-4-ol
MOLECULAR FORMULA: C9H10OS
MOLECULAR WEIGHT: 166.2401
SMILES: C1CSC2=CC=CC=C2C1O
Structure:

CAS RN: 171744-39-1
CAS Name: 2-[[2-[oxo-(4-sulfamoylanilino)methyl]phenyl]disulfanyl]-N-(4-sulfamoylphenyl)benzamide
OPENEYE Name: N-(4-sulfamoylphenyl)-2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]benzamide
IUPAC Name: N-(4-sulfamoylphenyl)-2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]benzamide
SYSTEMATIC NAME: N-(4-sulfamoylphenyl)-2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]benzamide
MOLECULAR FORMULA: C26H22N4O6S4
MOLECULAR WEIGHT: 614.73608
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)SSC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)S(=O)(=O)N
Structure:

CAS RN: 121809-80-1
CAS Name: 2-(benzenesulfonyl)-2-(3-chloro-2-quinoxalinyl)acetonitrile
OPENEYE Name: 2-(benzenesulfonyl)-2-(3-chloroquinoxalin-2-yl)acetonitrile
IUPAC Name: 2-(benzenesulfonyl)-2-(3-chloroquinoxalin-2-yl)acetonitrile
SYSTEMATIC NAME: 2-(3-chloranylquinoxalin-2-yl)-2-(phenylsulfonyl)ethanenitrile
MOLECULAR FORMULA: C16H10ClN3O2S
MOLECULAR WEIGHT: 343.7875
SMILES: C1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2Cl
Structure:

CAS RN: 177653-76-8
CAS Name: N-(4,5-dimethoxy-1-nitro-9-acridinyl)-N',N'-dimethylpropane-1,3-diamine
OPENEYE Name: N-(4,5-dimethoxy-1-nitro-acridin-9-yl)-N',N'-dimethyl-propane-1,3-diamine
IUPAC Name: N-(4,5-dimethoxy-1-nitroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine
SYSTEMATIC NAME: N-(4,5-dimethoxy-1-nitro-acridin-9-yl)-N',N'-dimethyl-propane-1,3-diamine
MOLECULAR FORMULA: C20H24N4O4
MOLECULAR WEIGHT: 384.42896
SMILES: CN(C)CCCNC1=C2C=CC=C(C2=NC3=C(C=CC(=C31)[N+](=O)[O-])OC)OC
Structure:

CAS RN: 127933-84-0
CAS Name: 10H-triazolo[5,1-c][1,4]benzodiazepine
OPENEYE Name: 10H-triazolo[5,1-c][1,4]benzodiazepine
IUPAC Name: 10H-triazolo[5,1-c][1,4]benzodiazepine
SYSTEMATIC NAME: 10H-[1,2,3]triazolo[5,1-c][1,4]benzodiazepine
MOLECULAR FORMULA: C10H8N4
MOLECULAR WEIGHT: 184.19732
SMILES: C1C2=CC=CC=C2N=CC3=CN=NN31
Structure:

CAS RN: 124031-03-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H9N3O3S
MOLECULAR WEIGHT: 311.31526
SMILES: C1=CC=C(C=C1)N2C(=O)C3=CN=C4C(=C3N2)C=C(S4)C(=O)O
Structure:

CAS RN: 130100-08-2
CAS Name: 1-(2-oxiranylmethyl)-3-(2-thiiranylmethyl)-2-benzimidazolone
OPENEYE Name: 1-(oxiran-2-ylmethyl)-3-(thiiran-2-ylmethyl)benzimidazol-2-one
IUPAC Name: 1-(oxiran-2-ylmethyl)-3-(thiiran-2-ylmethyl)benzimidazol-2-one
SYSTEMATIC NAME: 1-(oxiran-2-ylmethyl)-3-(thiiran-2-ylmethyl)benzimidazol-2-one
MOLECULAR FORMULA: C13H14N2O2S
MOLECULAR WEIGHT: 262.32746
SMILES: C1C(O1)CN2C3=CC=CC=C3N(C2=O)CC4CS4
Structure:

CAS RN: 4117-11-7
CAS Name: 3-heptadeca-1,9-dien-4,6-diynone
OPENEYE Name: heptadeca-1,9-dien-4,6-diyn-3-one
IUPAC Name: heptadeca-1,9-dien-4,6-diyn-3-one
SYSTEMATIC NAME: heptadeca-1,9-dien-4,6-diyn-3-one
MOLECULAR FORMULA: C17H22O
MOLECULAR WEIGHT: 242.35598
SMILES: CCCCCCCC=CCC#CC#CC(=O)C=C
Structure:

CAS RN: 24672-76-2
CAS Name: 9,10-bis(4-methoxyphenyl)anthracene
OPENEYE Name: 9,10-bis(4-methoxyphenyl)anthracene
IUPAC Name: 9,10-bis(4-methoxyphenyl)anthracene
SYSTEMATIC NAME: 9,10-bis(4-methoxyphenyl)anthracene
MOLECULAR FORMULA: C28H22O2
MOLECULAR WEIGHT: 390.47308
SMILES: COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OC
Structure:

CAS RN: 16857-92-4
CAS Name: 3,5-bis(1-pyrrolidinyl)-1-cyclohexa-2,4-dienone
OPENEYE Name: 3,5-dipyrrolidin-1-ylcyclohexa-2,4-dien-1-one
IUPAC Name: 3,5-dipyrrolidin-1-ylcyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 3,5-dipyrrolidin-1-ylcyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: C1CCN(C1)C2=CC(=CC(=O)C2)N3CCCC3
Structure:

CAS RN: 64384-95-8
CAS Name: 14-[(2R,5S,6S)-6-hydroxy-5-methyl-2-piperidinyl]-2-tetradecanone
OPENEYE Name: 14-[(2R,5S,6S)-6-hydroxy-5-methyl-2-piperidyl]tetradecan-2-one
IUPAC Name: 14-[(2R,5S,6S)-6-hydroxy-5-methylpiperidin-2-yl]tetradecan-2-one
SYSTEMATIC NAME: 14-[(2R,5S,6S)-5-methyl-6-oxidanyl-piperidin-2-yl]tetradecan-2-one
MOLECULAR FORMULA: C20H39NO2
MOLECULAR WEIGHT: 325.52916
SMILES: C[C@H]1CC[C@H](N[C@H]1O)CCCCCCCCCCCCC(=O)C
Structure:

CAS RN: 213261-59-7
CAS Name: [5-[5-[5-(hydroxymethyl)-2-thiophenyl]-2-furanyl]-2-thiophenyl]methanol
OPENEYE Name: [5-[5-[5-(hydroxymethyl)-2-thienyl]-2-furyl]-2-thienyl]methanol
IUPAC Name: [5-[5-[5-(hydroxymethyl)thiophen-2-yl]furan-2-yl]thiophen-2-yl]methanol
SYSTEMATIC NAME: [5-[5-[5-(hydroxymethyl)thiophen-2-yl]furan-2-yl]thiophen-2-yl]methanol
MOLECULAR FORMULA: C14H12O3S2
MOLECULAR WEIGHT: 292.37328
SMILES: C1=C(SC(=C1)C2=CC=C(O2)C3=CC=C(S3)CO)CO
Structure:

CAS RN: 14202-31-4
CAS Name: 5-methyl-3-phenyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one
OPENEYE Name: 5-methyl-3-phenyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one
IUPAC Name: 5-methyl-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SYSTEMATIC NAME: 5-methyl-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
MOLECULAR FORMULA: C12H9N3OS2
MOLECULAR WEIGHT: 275.34936
SMILES: CC1=NC(=O)C2=C(N1)N(C(=S)S2)C3=CC=CC=C3
Structure:

CAS RN: 14773-41-2
CAS Name: (4R)-N-tert-butyl-3-[2-hydroxy-3-[[(2R)-2-[[2-(5-isoquinolinyloxy)-1-oxoethyl]amino]-3-(methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-4-thiazolidinecarboxamide
OPENEYE Name: (4R)-N-tert-butyl-3-[2-hydroxy-3-[[(2R)-2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide
IUPAC Name: (4R)-N-tert-butyl-3-[2-hydroxy-3-[[(2R)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: (4R)-N-tert-butyl-3-[3-[[(2R)-2-(2-isoquinolin-5-yloxyethanoylamino)-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C33H41N5O6S2
MOLECULAR WEIGHT: 667.83854
SMILES: CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)[C@H](CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O
Structure:

CAS RN: 147318-81-8
CAS Name: (4R)-N-tert-butyl-3-[2-hydroxy-3-[[(2R)-2-[[2-(5-isoquinolinyloxy)-1-oxoethyl]amino]-3-(methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-4-thiazolidinecarboxamide
OPENEYE Name: (4R)-N-tert-butyl-3-[2-hydroxy-3-[[(2R)-2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide
IUPAC Name: (4R)-N-tert-butyl-3-[2-hydroxy-3-[[(2R)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: (4R)-N-tert-butyl-3-[3-[[(2R)-2-(2-isoquinolin-5-yloxyethanoylamino)-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C33H41N5O6S2
MOLECULAR WEIGHT: 667.83854
SMILES: CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)[C@H](CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O
Structure:

CAS RN: 6764-10-9
CAS Name: 3-(dimethylaminoazo)-4-methyl-N,N-bis(phenylmethyl)benzamide
OPENEYE Name: N,N-dibenzyl-3-(dimethylaminoazo)-4-methyl-benzamide
IUPAC Name: N,N-dibenzyl-3-(dimethylaminodiazenyl)-4-methylbenzamide
SYSTEMATIC NAME: 3-(dimethylaminodiazenyl)-4-methyl-N,N-bis(phenylmethyl)benzamide
MOLECULAR FORMULA: C24H26N4O
MOLECULAR WEIGHT: 386.48944
SMILES: CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)N=NN(C)C
Structure:

CAS RN: 208576-37-8
CAS Name: 4-[[[4-[[[4-[[[[5-[[[5-[[(4,6-disulfo-1-naphthalenyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]naphthalene-1,7-disulfonic
OPENEYE Name: 4-[[4-[[4-[[5-[[5-[(4,6-disulfo-1-naphthyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,7-disulfonic acid
IUPAC Name: 4-[[4-[[4-[[5-[[5-[(4,6-disulfonaphthalen-1-yl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,7-disulfonic acid
SYSTEMATIC NAME: 4-[[4-[[4-[[5-[[5-[(4,6-disulfonaphthalen-1-yl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,7-disulfonic acid
MOLECULAR FORMULA: C45H40N10O17S4
MOLECULAR WEIGHT: 1121.1159
SMILES: CN1C=C(C=C1C(=O)NC2=C3C=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=C8C=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)C)C
Structure:

CAS RN: 73020-91-4
CAS Name: 8-methyl-1,5-dimethylene-4,5a,6,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
OPENEYE Name: 8-methyl-1,5-dimethylene-4,5a,6,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
IUPAC Name: 8-methyl-1,5-dimethylidene-4,5a,6,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
SYSTEMATIC NAME: 8-methyl-1,5-dimethylidene-4,5a,6,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
MOLECULAR FORMULA: C15H18O2
MOLECULAR WEIGHT: 230.30222
SMILES: CC1=CCC2C1CC3C(CC2=C)OC(=O)C3=C
Structure:

CAS RN: 14294-62-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26O5
MOLECULAR WEIGHT: 370.43884
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H](C([C@H](O4)C)C)O
Structure:

CAS RN: 142632-32-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26O5
MOLECULAR WEIGHT: 370.43884
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H](C([C@H](O4)C)C)O
Structure:

CAS RN: 126830-80-6
CAS Name: 1-piperidinecarbodithioic acid [2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] ester
OPENEYE Name: [2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] piperidine-1-carbodithioate
IUPAC Name: [2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] piperidine-1-carbodithioate
SYSTEMATIC NAME: [2-oxidanylidene-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] piperidine-1-carbodithioate
MOLECULAR FORMULA: C15H21N3OS3
MOLECULAR WEIGHT: 355.54174
SMILES: C1CCN(CC1)C(=S)SCC(=O)NC2=NC3=C(S2)CCCC3
Structure:

CAS RN: 126830-78-2
CAS Name: N,N-diethylcarbamodithioic acid [2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] ester
OPENEYE Name: [2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] N,N-diethylcarbamodithioate
IUPAC Name: [2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] N,N-diethylcarbamodithioate
SYSTEMATIC NAME: [2-oxidanylidene-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] N,N-diethylcarbamodithioate
MOLECULAR FORMULA: C14H21N3OS3
MOLECULAR WEIGHT: 343.53104
SMILES: CCN(CC)C(=S)SCC(=O)NC1=NC2=C(S1)CCCC2
Structure:

CAS RN: 29169-19-5
CAS Name: 1,4,8,11,15,18,22,25-octathiacyclooctacosane
OPENEYE Name: 1,4,8,11,15,18,22,25-octathiacyclooctacosane
IUPAC Name: 1,4,8,11,15,18,22,25-octathiacyclooctacosane
SYSTEMATIC NAME: 1,4,8,11,15,18,22,25-octathiacyclooctacosane
MOLECULAR FORMULA: C20H40S8
MOLECULAR WEIGHT: 537.0516
SMILES: C1CSCCSCCCSCCSCCCSCCSCCCSCCSC1
Structure:

CAS RN: 3661-65-2
CAS Name: 1,4,7,10,13-pentathiacyclopentadecane
OPENEYE Name: 1,4,7,10,13-pentathiacyclopentadecane
IUPAC Name: 1,4,7,10,13-pentathiacyclopentadecane
SYSTEMATIC NAME: 1,4,7,10,13-pentathiacyclopentadecane
MOLECULAR FORMULA: C10H20S5
MOLECULAR WEIGHT: 300.5908
SMILES: C1CSCCSCCSCCSCCS1
Structure:

CAS RN: 6573-11-1
CAS Name: 1,4,7-trithionane
OPENEYE Name: 1,4,7-trithionane
IUPAC Name: 1,4,7-trithionane
SYSTEMATIC NAME: 1,4,7-trithionane
MOLECULAR FORMULA: C6H12S3
MOLECULAR WEIGHT: 180.35448
SMILES: C1CSCCSCCS1
Structure:

CAS RN: 15165-27-2
CAS Name: 4-(methylthio)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride
OPENEYE Name: 4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride
IUPAC Name: 4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride
SYSTEMATIC NAME: 4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride
MOLECULAR FORMULA: C17H22ClNO3S
MOLECULAR WEIGHT: 355.87948
SMILES: COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)SC.Cl
Structure:

CAS RN: 151248-26-9
CAS Name: 4-(methylthio)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
OPENEYE Name: 4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
IUPAC Name: 4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
SYSTEMATIC NAME: 4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
MOLECULAR FORMULA: C17H21NO3S
MOLECULAR WEIGHT: 319.41854
SMILES: COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)SC
Structure:

CAS RN: 151221-97-5
CAS Name: 4-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
OPENEYE Name: 4-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
IUPAC Name: 4-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
SYSTEMATIC NAME: 4-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
MOLECULAR FORMULA: C18H23NO3
MOLECULAR WEIGHT: 301.38012
SMILES: CCC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC
Structure:

CAS RN: 151221-96-4
CAS Name: 4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
OPENEYE Name: 4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
IUPAC Name: 4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
SYSTEMATIC NAME: 4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
MOLECULAR FORMULA: C17H21NO3
MOLECULAR WEIGHT: 287.35354
SMILES: CC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC
Structure:

CAS RN: 60147-18-4
CAS Name: 3,6,9,14-tetrathiabicyclo[9.2.1]tetradeca-1(13),11-diene
OPENEYE Name: 3,6,9,14-tetrathiabicyclo[9.2.1]tetradeca-1(13),11-diene
IUPAC Name: 3,6,9,14-tetrathiabicyclo[9.2.1]tetradeca-1(13),11-diene
SYSTEMATIC NAME: 3,6,9,14-tetrathiabicyclo[9.2.1]tetradeca-1(13),11-diene
MOLECULAR FORMULA: C10H14S4
MOLECULAR WEIGHT: 262.47816
SMILES: C1CSCC2=CC=C(S2)CSCCS1
Structure:

CAS RN: 468-27-9
CAS Name: 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-(2-methyl-1-oxopropyl)-1-cyclohexa-2,4-dienone
OPENEYE Name: 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
IUPAC Name: 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 4,6,6-tris(3-methylbut-2-enyl)-2-(2-methylpropanoyl)-3,5-bis(oxidanyl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C25H36O4
MOLECULAR WEIGHT: 400.55094
SMILES: CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O
Structure:

CAS RN: 5421-68-1
CAS Name: 1-(4-chlorophenyl)-3-(diethylamino)-1-propanone
OPENEYE Name: 1-(4-chlorophenyl)-3-(diethylamino)propan-1-one
IUPAC Name: 1-(4-chlorophenyl)-3-(diethylamino)propan-1-one
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(diethylamino)propan-1-one
MOLECULAR FORMULA: C13H18ClNO
MOLECULAR WEIGHT: 239.74112
SMILES: CCN(CC)CCC(=O)C1=CC=C(C=C1)Cl
Structure:

CAS RN: 13908-32-2
CAS Name: (8bS,13aS)-3,6,7-trimethoxy-8b,9,11,12,13,13a-hexahydrophenanthro[9,10-f]indolizin-4-ol
OPENEYE Name: (8bS,13aS)-3,6,7-trimethoxy-8b,9,11,12,13,13a-hexahydrophenanthro[9,10-f]indolizin-4-ol
IUPAC Name: (8bS,13aS)-3,6,7-trimethoxy-8b,9,11,12,13,13a-hexahydrophenanthro[9,10-f]indolizin-4-ol
SYSTEMATIC NAME: (8bS,13aS)-3,6,7-trimethoxy-8b,9,11,12,13,13a-hexahydrophenanthro[9,10-f]indolizin-4-ol
MOLECULAR FORMULA: C23H25NO4
MOLECULAR WEIGHT: 379.4489
SMILES: COC1=C(C2=C(C=C1)C3=C[C@@H]4CCCN4C[C@@H]3C5=CC(=C(C=C52)OC)OC)O
Structure:

CAS RN: 13908-28-6
CAS Name: (8bR,13aR)-2,3,6,7-tetramethoxy-9,11,12,13-tetrahydro-8bH-phenanthro[9,10-f]indolizin-13a-ol
OPENEYE Name: (8bR,13aR)-2,3,6,7-tetramethoxy-9,11,12,13-tetrahydro-8bH-phenanthro[9,10-f]indolizin-13a-ol
IUPAC Name: (8bR,13aR)-2,3,6,7-tetramethoxy-9,11,12,13-tetrahydro-8bH-phenanthro[9,10-f]indolizin-13a-ol
SYSTEMATIC NAME: (8bR,13aR)-2,3,6,7-tetramethoxy-9,11,12,13-tetrahydro-8bH-phenanthro[9,10-f]indolizin-13a-ol
MOLECULAR FORMULA: C24H27NO5
MOLECULAR WEIGHT: 409.47488
SMILES: COC1=C(C=C2C(=C1)[C@H]3CN4CCC[C@]4(C=C3C5=CC(=C(C=C25)OC)OC)O)OC
Structure:

CAS RN: 152490-66-9
CAS Name: (6aS,11aS)-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-8-ol
OPENEYE Name: (6aS,11aS)-9-benzyloxy-3-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-8-ol
IUPAC Name: (6aS,11aS)-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
SYSTEMATIC NAME: (6aS,11aS)-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
MOLECULAR FORMULA: C23H20O5
MOLECULAR WEIGHT: 376.4019
SMILES: COC1=CC2=C(C=C1)[C@@H]3[C@H](CO2)C4=CC(=C(C=C4O3)OCC5=CC=CC=C5)O
Structure:

CAS RN: 51947-89-8
CAS Name: 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
IUPAC Name: ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
SYSTEMATIC NAME: ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanoate
MOLECULAR FORMULA: C12H18O4
MOLECULAR WEIGHT: 226.26892
SMILES: CCOC(=O)C=C1CCC2(CC1)OCCO2
Structure:

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