Sunday, October 30, 2011

http://ChemLookup.com Compounds




CAS RN: 38054-42-1
CAS Name: furan-2,5-dione; (Z)-4-methoxy-4-oxo-2-butenoic acid; styrene
OPENEYE Name: furan-2,5-dione; (Z)-4-methoxy-4-oxo-but-2-enoic acid; styrene
IUPAC Name: furan-2,5-dione; (Z)-4-methoxy-4-oxobut-2-enoic acid; styrene
SYSTEMATIC NAME: ethenylbenzene; furan-2,5-dione; (Z)-4-methoxy-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C17H16O7
MOLECULAR WEIGHT: 332.30474
SMILES: COC(=O)/C=C\C(=O)O.C=CC1=CC=CC=C1.C1=CC(=O)OC1=O
Structure:

CAS RN: 31945-18-3
CAS Name: (3E)-3,7-dimethylocta-3,7-dienenitrile
OPENEYE Name: (3E)-3,7-dimethylocta-3,7-dienenitrile
IUPAC Name: (3E)-3,7-dimethylocta-3,7-dienenitrile
SYSTEMATIC NAME: (3E)-3,7-dimethylocta-3,7-dienenitrile
MOLECULAR FORMULA: C10H15N
MOLECULAR WEIGHT: 149.2328
SMILES: CC(=C)CC/C=C(\C)/CC#N
Structure:

CAS RN: 113151-66-9
CAS Name: (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]-9-octadecenamide
OPENEYE Name: (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide
IUPAC Name: (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide
SYSTEMATIC NAME: (E)-N,N-bis[2-(2-hydroxyethyloxy)ethyl]octadec-9-enamide
MOLECULAR FORMULA: C26H51NO5
MOLECULAR WEIGHT: 457.68684
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)N(CCOCCO)CCOCCO
Structure:

CAS RN: 31799-71-0
CAS Name: (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]-9-octadecenamide
OPENEYE Name: (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide
IUPAC Name: (E)-N,N-bis[2-(2-hydroxyethoxy)ethyl]octadec-9-enamide
SYSTEMATIC NAME: (E)-N,N-bis[2-(2-hydroxyethyloxy)ethyl]octadec-9-enamide
MOLECULAR FORMULA: C26H51NO5
MOLECULAR WEIGHT: 457.68684
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)N(CCOCCO)CCOCCO
Structure:

CAS RN: 31685-99-1
CAS Name: (E)-2-methyl-2-butenoic acid [5-acetyl-6-hydroxy-2-(1-methylethenyl)-2,3-dihydrobenzofuran-3-yl] ester
OPENEYE Name: (5-acetyl-6-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran-3-yl) (E)-2-methylbut-2-enoate
IUPAC Name: (5-acetyl-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl) (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: (5-ethanoyl-6-oxidanyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-3-yl) (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C18H20O5
MOLECULAR WEIGHT: 316.3484
SMILES: C/C=C(\C)/C(=O)OC1C(OC2=C1C=C(C(=C2)O)C(=O)C)C(=C)C
Structure:

CAS RN: 31612-53-0
CAS Name: 1,3,3-trimethyl-2-[(E)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethenyl]indol-1-ium chloride
OPENEYE Name: 1,3,3-trimethyl-2-[(E)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)vinyl]indol-1-ium chloride
IUPAC Name: 1,3,3-trimethyl-2-[(E)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethenyl]indol-1-ium chloride
SYSTEMATIC NAME: 1,3,3-trimethyl-2-[(E)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethenyl]indol-1-ium chloride
MOLECULAR FORMULA: C22H24ClN3
MOLECULAR WEIGHT: 365.89906
SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=C/N3CCC(=N3)C4=CC=CC=C4)C)C.[Cl-]
Structure:

CAS RN: 31580-45-7
CAS Name: 6-chloro-3-methyl-2-[(E,3Z)-3-[4-methyl-3-(phenylmethyl)-2-thiazolylidene]prop-1-enyl]-1,3-benzoxazol-3-ium iodide
OPENEYE Name: 2-[(E,3Z)-3-(3-benzyl-4-methyl-thiazol-2-ylidene)prop-1-enyl]-6-chloro-3-methyl-1,3-benzoxazol-3-ium iodide
IUPAC Name: 2-[(E,3Z)-3-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)prop-1-enyl]-6-chloro-3-methyl-1,3-benzoxazol-3-ium iodide
SYSTEMATIC NAME: 6-chloranyl-3-methyl-2-[(E,3Z)-3-[4-methyl-3-(phenylmethyl)-1,3-thiazol-2-ylidene]prop-1-enyl]-1,3-benzoxazol-3-ium iodide
MOLECULAR FORMULA: C22H20ClIN2OS
MOLECULAR WEIGHT: 522.82947
SMILES: CC1=CS/C(=C\C=C\C2=[N+](C3=C(O2)C=C(C=C3)Cl)C)/N1CC4=CC=CC=C4.[I-]
Structure:

CAS RN: 31521-55-8
CAS Name: 4-methylbenzenesulfonic acid; 2-[(E)-2-(1-methyl-5-nitro-2-phenyl-3-indolyl)ethenyl]-1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxalin-9-ium
OPENEYE Name: 1,3-diallyl-2-[(E)-2-(1-methyl-5-nitro-2-phenyl-indol-3-yl)vinyl]-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonic acid
IUPAC Name: 4-methylbenzenesulfonic acid; 2-[(E)-2-(1-methyl-5-nitro-2-phenylindol-3-yl)ethenyl]-1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxalin-9-ium
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; 2-[(E)-2-(1-methyl-5-nitro-2-phenyl-indol-3-yl)ethenyl]-1,3-bis(prop-2-enyl)-2H-imidazo[4,5-b]quinoxalin-9-ium
MOLECULAR FORMULA: C39H37N6O5S+
MOLECULAR WEIGHT: 701.81328
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C3=CC=CC=C3)/C=C/C4N(C5=[NH+]C6=CC=CC=C6N=C5N4CC=C)CC=C
Structure:

CAS RN: 31428-94-1
CAS Name: 4-[(E)-2-(3-chlorophenyl)ethenyl]pyridine
OPENEYE Name: 4-[(E)-2-(3-chlorophenyl)vinyl]pyridine
IUPAC Name: 4-[(E)-2-(3-chlorophenyl)ethenyl]pyridine
SYSTEMATIC NAME: 4-[(E)-2-(3-chlorophenyl)ethenyl]pyridine
MOLECULAR FORMULA: C13H10ClN
MOLECULAR WEIGHT: 215.6782
SMILES: C1=CC(=CC(=C1)Cl)/C=C/C2=CC=NC=C2
Structure:

CAS RN: 31316-20-8
CAS Name: butanoic acid [(1R,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexyl] ester
OPENEYE Name: [(1R,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexyl] butanoate
IUPAC Name: [(1R,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] butanoate
SYSTEMATIC NAME: [(1R,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexyl] butanoate
MOLECULAR FORMULA: C31H50O2
MOLECULAR WEIGHT: 454.7275
SMILES: CCCC(=O)O[C@@H]1CCC(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CCC3[C@H](C)CCCC(C)C)C)/C1
Structure:

CAS RN: 31180-93-5
CAS Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dioxolane
OPENEYE Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dioxolane
IUPAC Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dioxolane
SYSTEMATIC NAME: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dioxolane
MOLECULAR FORMULA: C13H22O2
MOLECULAR WEIGHT: 210.31258
SMILES: CC(=CCC/C(=C/CC1OCCO1)/C)C
Structure:

CAS RN: 31147-36-1
CAS Name: (2E)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
OPENEYE Name: (2E)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethyl-octa-2,6-diene
IUPAC Name: (2E)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
SYSTEMATIC NAME: (2E)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethyl-octa-2,6-diene
MOLECULAR FORMULA: C20H34O
MOLECULAR WEIGHT: 290.48336
SMILES: CC(=CCC/C(=C/COC/C=C(/CCC=C(C)C)\C)/C)C
Structure:

CAS RN: 31114-55-3
CAS Name: 3-butenoic acid; (Z)-4-(2-cyanoethoxy)-4-oxo-2-butenoic acid
OPENEYE Name: but-3-enoic acid; (Z)-4-(2-cyanoethoxy)-4-oxo-but-2-enoic acid
IUPAC Name: but-3-enoic acid; (Z)-4-(2-cyanoethoxy)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: but-3-enoic acid; (Z)-4-(2-cyanoethoxy)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C11H13NO6
MOLECULAR WEIGHT: 255.22402
SMILES: C=CCC(=O)O.C(COC(=O)/C=C\C(=O)O)C#N
Structure:

CAS RN: 30994-28-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O7
MOLECULAR WEIGHT: 378.41624
SMILES: C/C/1=C/CC[C@@]2([C@H](O2)[C@@H]3[C@@H]([C@H](C1)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O3)C
Structure:

CAS RN: 30838-58-5
CAS Name: N,N-dimethyl-2-[2-[(E)-2-(2-pyridinyl)ethenyl]phenoxy]ethanamine hydrochloride
OPENEYE Name: N,N-dimethyl-2-[2-[(E)-2-(2-pyridyl)vinyl]phenoxy]ethanamine hydrochloride
IUPAC Name: N,N-dimethyl-2-[2-[(E)-2-pyridin-2-ylethenyl]phenoxy]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-2-[2-[(E)-2-pyridin-2-ylethenyl]phenoxy]ethanamine hydrochloride
MOLECULAR FORMULA: C17H21ClN2O
MOLECULAR WEIGHT: 304.81444
SMILES: CN(C)CCOC1=CC=CC=C1/C=C/C2=CC=CC=N2.Cl
Structure:

CAS RN: 62611-27-2
CAS Name: N,N-dimethyl-2-[2-[(E)-2-(2-pyridinyl)ethenyl]phenoxy]ethanamine hydrochloride
OPENEYE Name: N,N-dimethyl-2-[2-[(E)-2-(2-pyridyl)vinyl]phenoxy]ethanamine hydrochloride
IUPAC Name: N,N-dimethyl-2-[2-[(E)-2-pyridin-2-ylethenyl]phenoxy]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-2-[2-[(E)-2-pyridin-2-ylethenyl]phenoxy]ethanamine hydrochloride
MOLECULAR FORMULA: C17H21ClN2O
MOLECULAR WEIGHT: 304.81444
SMILES: CN(C)CCOC1=CC=CC=C1/C=C/C2=CC=CC=N2.Cl
Structure:

CAS RN: 30638-94-9
CAS Name: (E)-2-butenedioic acid; ethane-1,2-diol; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; 2-(2-hydroxyethoxy)ethanol
OPENEYE Name: ethylene glycol; fumaric acid; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; 2-(2-hydroxyethoxy)ethanol
IUPAC Name: (E)-but-2-enedioic acid; ethane-1,2-diol; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; 2-(2-hydroxyethoxy)ethanol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; ethane-1,2-diol; 1,2,3,4,7,7-hexakis(chloranyl)bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; 2-(2-hydroxyethyloxy)ethanol
MOLECULAR FORMULA: C19H24Cl6O13
MOLECULAR WEIGHT: 673.10406
SMILES: C(CO)O.C(COCCO)O.C(=C/C(=O)O)\C(=O)O.C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O
Structure:

CAS RN: 30457-67-1
CAS Name: 4-[5-chloro-2-[(E,3E)-3-[5-chloro-3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]-1-butanesulfonate
OPENEYE Name: 4-[5-chloro-2-[(E,3E)-3-[5-chloro-3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]-2-methyl-prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate
IUPAC Name: 4-[5-chloro-2-[(E,3E)-3-[5-chloro-3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate
SYSTEMATIC NAME: 4-[5-chloranyl-2-[(E,3E)-3-[5-chloranyl-3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]-2-methyl-prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate
MOLECULAR FORMULA: C26H28Cl2N2O6S4
MOLECULAR WEIGHT: 663.67632
SMILES: C/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCCS(=O)(=O)[O-])/C=C/3\N(C4=C(S3)C=CC(=C4)Cl)CCCCS(=O)(=O)O
Structure:

CAS RN: 29861-55-0
CAS Name: acetic acid ethenyl ester; (Z)-2-butenedioic acid dibutyl ester; 2-propenoic acid
OPENEYE Name: acrylic acid; dibutyl (Z)-but-2-enedioate; vinyl acetate
IUPAC Name: dibutyl (Z)-but-2-enedioate; ethenyl acetate; prop-2-enoic acid
SYSTEMATIC NAME: dibutyl (Z)-but-2-enedioate; ethenyl ethanoate; prop-2-enoic acid
MOLECULAR FORMULA: C19H30O8
MOLECULAR WEIGHT: 386.4367
SMILES: CCCCOC(=O)/C=C\C(=O)OCCCC.CC(=O)OC=C.C=CC(=O)O
Structure:

CAS RN: 29855-05-8
CAS Name: (4Z,8Z)-6,10,11-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
OPENEYE Name: (4Z,8Z)-6,10,11-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
IUPAC Name: (4Z,8Z)-6,10,11-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
SYSTEMATIC NAME: (4Z,8Z)-6,10,11-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: CC/1C/C=C\C(C(C2C(O2)CC/C=C1)C)C
Structure:

CAS RN: 29825-06-7
CAS Name: (Z)-N-[3-[11,14-bis(hydroxymethyl)-5,8-bis[3-[[(E)-5-hydroxy-3-methyl-1-oxopent-2-enyl]-oxidoamino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-5-hydroxy-3-methyl-N-oxido-2-pentenamide; iron(3+)
OPENEYE Name: ferric (Z)-N-[3-[11,14-bis(hydroxymethyl)-5,8-bis[3-[[(E)-5-hydroxy-3-methyl-pent-2-enoyl]-oxido-amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-5-hydroxy-3-methyl-N-oxido-pent-2-enamide
IUPAC Name: (Z)-N-[3-[11,14-bis(hydroxymethyl)-5,8-bis[3-[[(E)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-5-hydroxy-3-methyl-N-oxidopent-2-enamide; iron(3+)
SYSTEMATIC NAME: (Z)-N-[3-[11,14-bis(hydroxymethyl)-5,8-bis[3-[[(E)-3-methyl-5-oxidanyl-pent-2-enoyl]-oxidanidyl-amino]propyl]-3,6,9,12,15,18-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-3-methyl-N-oxidanidyl-5-oxidanyl-pent-2-enamide; iron(3+)
MOLECULAR FORMULA: C41H64FeN9O17
MOLECULAR WEIGHT: 1010.84196
SMILES: C/C(=C/C(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CO)CO)CCCN(C(=O)/C=C(\C)/CCO)[O-])CCCN(C(=O)/C=C(\C)/CCO)[O-])[O-])/CCO.[Fe+3]
Structure:

CAS RN: 16307-33-8
CAS Name: (8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
OPENEYE Name: (8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3
IUPAC Name: (8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
SYSTEMATIC NAME: (8S,9R,10R,13R,14S,16R,17R)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-17-[(E,2R)-6-methyl-2,6-bis(oxidanyl)-3-oxidanylidene-hept-4-en-2-yl]-16-oxidanyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenan
MOLECULAR FORMULA: C36H52O12
MOLECULAR WEIGHT: 676.79088
SMILES: C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O
Structure:

CAS RN: 26260-47-9
CAS Name: (8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
OPENEYE Name: (8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3
IUPAC Name: (8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
SYSTEMATIC NAME: (8S,9R,10R,13R,14S,16R,17R)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-17-[(E,2R)-6-methyl-2,6-bis(oxidanyl)-3-oxidanylidene-hept-4-en-2-yl]-16-oxidanyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenan
MOLECULAR FORMULA: C36H52O12
MOLECULAR WEIGHT: 676.79088
SMILES: C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O
Structure:

CAS RN: 29803-94-9
CAS Name: (8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
OPENEYE Name: (8S,9R,10R,13R,14S,16R,17R)-17-[(E,1R)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3
IUPAC Name: (8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
SYSTEMATIC NAME: (8S,9R,10R,13R,14S,16R,17R)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-17-[(E,2R)-6-methyl-2,6-bis(oxidanyl)-3-oxidanylidene-hept-4-en-2-yl]-16-oxidanyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenan
MOLECULAR FORMULA: C36H52O12
MOLECULAR WEIGHT: 676.79088
SMILES: C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O
Structure:

CAS RN: 29637-14-7
CAS Name: 4-[2-[(Z)-(1-ethyl-2-quinolinylidene)methyl]-1-quinolin-1-iumyl]-1-butanesulfonate
OPENEYE Name: 4-[2-[(Z)-(1-ethyl-2-quinolylidene)methyl]quinolin-1-ium-1-yl]butane-1-sulfonate
IUPAC Name: 4-[2-[(Z)-(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]butane-1-sulfonate
SYSTEMATIC NAME: 4-[2-[(Z)-(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]butane-1-sulfonate
MOLECULAR FORMULA: C25H26N2O3S
MOLECULAR WEIGHT: 434.55054
SMILES: CCN1/C(=C\C2=[N+](C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=CC4=CC=CC=C41
Structure:

CAS RN: 29329-88-2
CAS Name: 1,3-diethyl-2-[(E)-2-(1-methyl-2-phenyl-3-indolyl)ethenyl]-2H-imidazo[4,5-b]quinoxaline; 4-methylbenzenesulfonate
OPENEYE Name: 1,3-diethyl-2-[(E)-2-(1-methyl-2-phenyl-indol-3-yl)vinyl]-2H-imidazo[4,5-b]quinoxaline; 4-methylbenzenesulfonate
IUPAC Name: 1,3-diethyl-2-[(E)-2-(1-methyl-2-phenylindol-3-yl)ethenyl]-2H-imidazo[4,5-b]quinoxaline; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 1,3-diethyl-2-[(E)-2-(1-methyl-2-phenyl-indol-3-yl)ethenyl]-2H-imidazo[4,5-b]quinoxaline; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C37H36N5O3S-
MOLECULAR WEIGHT: 630.77844
SMILES: CCN1C(N(C2=NC3=CC=CC=C3N=C21)CC)/C=C/C4=C(N(C5=CC=CC=C54)C)C6=CC=CC=C6.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:

CAS RN: 106764-70-9
CAS Name: (2E)-2-[(2Z,4E)-3,5-bis(3-heptyl-4-methyl-2-thiazol-3-iumyl)penta-2,4-dienylidene]-3-heptyl-4-methylthiazole dichloride
OPENEYE Name: (2E)-2-[(2Z,4E)-3,5-bis(3-heptyl-4-methyl-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-thiazole dichloride
IUPAC Name: (2E)-2-[(2Z,4E)-3,5-bis(3-heptyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-1,3-thiazole dichloride
SYSTEMATIC NAME: (2E)-2-[(2Z,4E)-3,5-bis(3-heptyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-1,3-thiazole dichloride
MOLECULAR FORMULA: C38H61Cl2N3S3
MOLECULAR WEIGHT: 727.01204
SMILES: CCCCCCCN\1C(=CS/C1=C/C=C(/C=C/C2=[N+](C(=CS2)C)CCCCCCC)\C3=[N+](C(=CS3)C)CCCCCCC)C.[Cl-].[Cl-]
Structure:

CAS RN: 6009-02-5
CAS Name: (2E)-2-[(2Z,4E)-3,5-bis(3-heptyl-4-methyl-2-thiazol-3-iumyl)penta-2,4-dienylidene]-3-heptyl-4-methylthiazole dichloride
OPENEYE Name: (2E)-2-[(2Z,4E)-3,5-bis(3-heptyl-4-methyl-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-thiazole dichloride
IUPAC Name: (2E)-2-[(2Z,4E)-3,5-bis(3-heptyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-1,3-thiazole dichloride
SYSTEMATIC NAME: (2E)-2-[(2Z,4E)-3,5-bis(3-heptyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-1,3-thiazole dichloride
MOLECULAR FORMULA: C38H61Cl2N3S3
MOLECULAR WEIGHT: 727.01204
SMILES: CCCCCCCN\1C(=CS/C1=C/C=C(/C=C/C2=[N+](C(=CS2)C)CCCCCCC)\C3=[N+](C(=CS3)C)CCCCCCC)C.[Cl-].[Cl-]
Structure:

CAS RN: 3512-87-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26N2O4
MOLECULAR WEIGHT: 382.45284
SMILES: C/C=C\1/CN2CCC34C5=C(C=CC(=C5)O)N(C36[C@@H]2CC1[C@]4(CO6)C(=O)OC)C
Structure:

CAS RN: 2290-11-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H32O9
MOLECULAR WEIGHT: 500.53758
SMILES: CC1=CC2C3(CC1)COC(=O)C4C(O4)(CCOC(=O)/C=C/C=C/C(=O)OC5C3(C6(CO6)C(C5)O2)C)C
Structure:

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