Monday, October 31, 2011

http://ChemLookup.com Compounds




CAS RN: 72906-40-2
CAS Name: potassium sodium 5-(4-phenyl-2-triazolyl)-2-[(E)-2-[4-(4-phenyl-2-triazolyl)-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: potassium sodium 5-(4-phenyltriazol-2-yl)-2-[(E)-2-[4-(4-phenyltriazol-2-yl)-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: potassium sodium 5-(4-phenyltriazol-2-yl)-2-[(E)-2-[4-(4-phenyltriazol-2-yl)-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: potassium sodium 5-(4-phenyl-1,2,3-triazol-2-yl)-2-[(E)-2-[4-(4-phenyl-1,2,3-triazol-2-yl)-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C30H20KN6NaO6S2
MOLECULAR WEIGHT: 686.73447
SMILES: C1=CC=C(C=C1)C2=NN(N=C2)C3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N5N=CC(=N5)C6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[K+]
Structure:

CAS RN: 876268-18-7
CAS Name: potassium sodium 5-(4-phenyl-2-triazolyl)-2-[(E)-2-[4-(4-phenyl-2-triazolyl)-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: potassium sodium 5-(4-phenyltriazol-2-yl)-2-[(E)-2-[4-(4-phenyltriazol-2-yl)-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: potassium sodium 5-(4-phenyltriazol-2-yl)-2-[(E)-2-[4-(4-phenyltriazol-2-yl)-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: potassium sodium 5-(4-phenyl-1,2,3-triazol-2-yl)-2-[(E)-2-[4-(4-phenyl-1,2,3-triazol-2-yl)-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C30H20KN6NaO6S2
MOLECULAR WEIGHT: 686.73447
SMILES: C1=CC=C(C=C1)C2=NN(N=C2)C3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N5N=CC(=N5)C6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[K+]
Structure:

CAS RN: 68025-18-3
CAS Name: disodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonate
OPENEYE Name: disodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]-5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonate
IUPAC Name: disodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonate
SYSTEMATIC NAME: disodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]ben
MOLECULAR FORMULA: C52H72N14Na2O22S4
MOLECULAR WEIGHT: 1419.44822
SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.[Na+].[Na+]
Structure:

CAS RN: 68003-31-6
CAS Name: disodium 5-[[4-anilino-6-[2-(2-hydroxyethoxy)ethoxy]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[2-(2-hydroxyethoxy)ethoxy]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[[4-anilino-6-[2-(2-hydroxyethoxy)ethoxy]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[2-(2-hydroxyethoxy)ethoxy]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[[4-anilino-6-[2-(2-hydroxyethoxy)ethoxy]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[2-(2-hydroxyethoxy)ethoxy]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[4-[2-(2-hydroxyethyloxy)ethoxy]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-(2-hydroxyethyloxy)ethoxy]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C40H40N10Na2O12S2
MOLECULAR WEIGHT: 962.91494
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)OCCOCCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)OCCOCCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:

CAS RN: 67952-35-6
CAS Name: 1-[bis(2-hydroxypropyl)amino]-2-propanol; (Z)-9-octadecenoic acid
OPENEYE Name: 1-[bis(2-hydroxypropyl)amino]propan-2-ol; (Z)-octadec-9-enoic acid
IUPAC Name: 1-[bis(2-hydroxypropyl)amino]propan-2-ol; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: 1-[bis(2-oxidanylpropyl)amino]propan-2-ol; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C27H55NO5
MOLECULAR WEIGHT: 473.7293
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.CC(CN(CC(C)O)CC(C)O)O
Structure:

CAS RN: 67828-26-6
CAS Name: 5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
OPENEYE Name: 5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
IUPAC Name: 5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[[4-[bis(2-hydroxyethyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C52H74N14O16S2
MOLECULAR WEIGHT: 1215.35816
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO
Structure:

CAS RN: 67828-24-4
CAS Name: disodium 5-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[4,6-bis[2-(2-hydroxyethyloxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[2-(2-hydroxyethyloxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C36H50N12Na2O14S2
MOLECULAR WEIGHT: 984.96374
SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCCOCCO)NCCOCCO)S(=O)(=O)[O-])/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NCCOCCO)NCCOCCO)S(=O)(=O)[O-].[Na+].[Na+]
Structure:

CAS RN: 67785-75-5
CAS Name: (6E,8E)-9,13-dimethyl-5-tetradeca-1,6,8,12-tetraenone
OPENEYE Name: (6E,8E)-9,13-dimethyltetradeca-1,6,8,12-tetraen-5-one
IUPAC Name: (6E,8E)-9,13-dimethyltetradeca-1,6,8,12-tetraen-5-one
SYSTEMATIC NAME: (6E,8E)-9,13-dimethyltetradeca-1,6,8,12-tetraen-5-one
MOLECULAR FORMULA: C16H24O
MOLECULAR WEIGHT: 232.36116
SMILES: CC(=CCC/C(=C/C=C/C(=O)CCC=C)/C)C
Structure:

CAS RN: 67656-42-2
CAS Name: acetic acid [(1E,3E)-5-(2,2-dimethyl-6-methylenecyclohexyl)-3-formylpenta-1,3-dienyl] ester
OPENEYE Name: [(1E,3E)-5-(2,2-dimethyl-6-methylene-cyclohexyl)-3-formyl-penta-1,3-dienyl] acetate
IUPAC Name: [(1E,3E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-formylpenta-1,3-dienyl] acetate
SYSTEMATIC NAME: [(1E,3E)-5-(2,2-dimethyl-6-methylidene-cyclohexyl)-3-methanoyl-penta-1,3-dienyl] ethanoate
MOLECULAR FORMULA: C17H24O3
MOLECULAR WEIGHT: 276.37066
SMILES: CC(=O)O/C=C/C(=C\CC1C(=C)CCCC1(C)C)/C=O
Structure:

CAS RN: 67370-02-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H49NO8
MOLECULAR WEIGHT: 575.73336
SMILES: C/C=C(/C)\C(=O)O[C@H]1CC[C@]2(C3[C@@]1(OC24C[C@H]5[C@@H]6CN7C[C@H](CC[C@H]7[C@@]([C@H]6[C@H]([C@@H](C5([C@@H]4CC3)O)O)O)(C)O)C)O)C
Structure:

CAS RN: 66690-81-1
CAS Name: (3aR,4R,7aR)-4-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3,3a,5,6,7,7a-octahydroindol-4-ol; (Z)-2-butenedioate
OPENEYE Name: (3aR,4R,7aR)-4-[(Z)-2-(3,4-dimethoxyphenyl)vinyl]-1,2,3,3a,5,6,7,7a-octahydroindol-4-ol; (Z)-but-2-enedioate
IUPAC Name: (3aR,4R,7aR)-4-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3,3a,5,6,7,7a-octahydroindol-4-ol; (Z)-but-2-enedioate
SYSTEMATIC NAME: (3aR,4R,7aR)-4-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3,3a,5,6,7,7a-octahydroindol-4-ol; (Z)-but-2-enedioate
MOLECULAR FORMULA: C40H52N2O10-2
MOLECULAR WEIGHT: 720.84828
SMILES: COC1=C(C=C(C=C1)/C=C\[C@]2([C@H]3[C@H](NCC3)CCC2)O)OC.COC1=C(C=C(C=C1)/C=C\[C@]2([C@H]3[C@H](NCC3)CCC2)O)OC.C(=C\C(=O)[O-])\C(=O)[O-]
Structure:

CAS RN: 66321-25-3
CAS Name: (1R,2R,4R)-2-bromo-1-chloro-4-[(E)-2-chloroethenyl]-1-methyl-5-methylenecyclohexane
OPENEYE Name: (1R,2R,4R)-2-bromo-1-chloro-4-[(E)-2-chlorovinyl]-1-methyl-5-methylene-cyclohexane
IUPAC Name: (1R,2R,4R)-2-bromo-1-chloro-4-[(E)-2-chloroethenyl]-1-methyl-5-methylidenecyclohexane
SYSTEMATIC NAME: (1R,2R,4R)-2-bromanyl-1-chloranyl-4-[(E)-2-chloranylethenyl]-1-methyl-5-methylidene-cyclohexane
MOLECULAR FORMULA: C10H13BrCl2
MOLECULAR WEIGHT: 284.02022
SMILES: C[C@]1(CC(=C)[C@H](C[C@H]1Br)/C=C/Cl)Cl
Structure:

CAS RN: 66139-22-8
CAS Name: acetic acid [(E)-dodec-8-enyl] ester; 1-dodecanol
OPENEYE Name: dodecan-1-ol; [(E)-dodec-8-enyl] acetate
IUPAC Name: dodecan-1-ol; [(E)-dodec-8-enyl] acetate
SYSTEMATIC NAME: dodecan-1-ol; [(E)-dodec-8-enyl] ethanoate
MOLECULAR FORMULA: C26H52O3
MOLECULAR WEIGHT: 412.68928
SMILES: CCCCCCCCCCCCO.CCC/C=C/CCCCCCCOC(=O)C
Structure:

CAS RN: 66104-72-1
CAS Name: dilithium disodium 5-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-[(E)-2-[4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: dilithium disodium 5-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]-2-[(E)-2-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: dilithium disodium 5-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-[(E)-2-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: dilithium disodium 5-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-[(E)-2-[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C26H18Li2N4Na2O8S2+2
MOLECULAR WEIGHT: 638.43466
SMILES: [Li+].[Li+].C1=CC(=O)C=CC1=NNC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NN=C4C=CC(=O)C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:

CAS RN: 65700-60-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H34O6
MOLECULAR WEIGHT: 430.53386
SMILES: C/C=C(/C)\C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C
Structure:

CAS RN: 65247-27-0
CAS Name: acetic acid [(E,6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-
OPENEYE Name: [(E,5R)-5-hydroxy-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,1-dimethyl
IUPAC Name: [(E,6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en
SYSTEMATIC NAME: [(E,6R)-6-[(2S,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-16-oxidanyl-3,11-bis(oxidanylidene)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-6-oxid
MOLECULAR FORMULA: C38H56O13
MOLECULAR WEIGHT: 720.84344
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@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O
Structure:

CAS RN: 65195-57-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H74O15
MOLECULAR WEIGHT: 891.09216
SMILES: CC[C@H](C)[C@@H]1[C@H]([C@H](C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)O)C
Structure:

CAS RN: 135680-93-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H74O15
MOLECULAR WEIGHT: 891.09216
SMILES: CC[C@H](C)[C@@H]1[C@H]([C@H](C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)O)C
Structure:

CAS RN: 65105-52-4
CAS Name: (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoic acid methyl ester
OPENEYE Name: methyl (2E,3Z,5E)-6-(4-chloro-3-methoxy-phenyl)-2-(methoxymethylene)-3-methyl-hexa-3,5-dienoate
IUPAC Name: methyl (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
SYSTEMATIC NAME: methyl (2E,3Z,5E)-6-(4-chloranyl-3-methoxy-phenyl)-2-(methoxymethylidene)-3-methyl-hexa-3,5-dienoate
MOLECULAR FORMULA: C17H19ClO4
MOLECULAR WEIGHT: 322.78336
SMILES: C/C(=C/C=C/C1=CC(=C(C=C1)Cl)OC)/C(=C\OC)/C(=O)OC
Structure:

CAS RN: 64681-12-5
CAS Name: 2H-benzotriazole; 3-[(E)-dodec-4-enyl]oxolane-2,5-dione
OPENEYE Name: 2H-benzotriazole; 3-[(E)-dodec-4-enyl]tetrahydrofuran-2,5-dione
IUPAC Name: 2H-benzotriazole; 3-[(E)-dodec-4-enyl]oxolane-2,5-dione
SYSTEMATIC NAME: 2H-benzotriazole; 3-[(E)-dodec-4-enyl]oxolane-2,5-dione
MOLECULAR FORMULA: C22H31N3O3
MOLECULAR WEIGHT: 385.49984
SMILES: CCCCCCC/C=C/CCCC1CC(=O)OC1=O.C1=CC2=NNN=C2C=C1
Structure:

CAS RN: 64090-83-1
CAS Name: (E)-3-[1-carboxyethoxy(oxo)methyl]-4-pentadecenoic acid
OPENEYE Name: (E)-3-(1-carboxyethoxycarbonyl)pentadec-4-enoic acid
IUPAC Name: (E)-3-(1-carboxyethoxycarbonyl)pentadec-4-enoic acid
SYSTEMATIC NAME: (E)-3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxycarbonylpentadec-4-enoic acid
MOLECULAR FORMULA: C19H32O6
MOLECULAR WEIGHT: 356.45378
SMILES: CCCCCCCCCC/C=C/C(CC(=O)O)C(=O)OC(C)C(=O)O
Structure:

CAS RN: 63531-93-1
CAS Name: (2Z,4E,6Z,8E)-9-[2-(hydroxymethyl)-6,6-dimethyl-1-cyclohexenyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2Z,4E,6Z,8E)-9-[2-(hydroxymethyl)-6,6-dimethyl-cyclohexen-1-yl]-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2Z,4E,6Z,8E)-9-[2-(hydroxymethyl)-6,6-dimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-9-[2-(hydroxymethyl)-6,6-dimethyl-cyclohexen-1-yl]-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: C/C(=C/C=C/C(=C\C(=O)O)/C)/C=C/C1=C(CCCC1(C)C)CO
Structure:

CAS RN: 63425-00-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22N2O
MOLECULAR WEIGHT: 294.39078
SMILES: C/C=C\1/CN(C[C@@H]2[C@H]1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C
Structure:

CAS RN: 63409-12-1
CAS Name: 3-methylbutanoic acid [(2S,3S,4R,6S)-6-[[(2R,3S,4R,5R,6R)-6-[[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-acetyloxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11
OPENEYE Name: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-acetoxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl
IUPAC Name: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-acetyloxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(d
SYSTEMATIC NAME: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-acetyloxy-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-16-ethyl-5,9,13-trimethyl-2,10-bis(oxidanylidene)-7-(2-oxidanylideneethyl)-1-oxacyclohexadeca-
MOLECULAR FORMULA: C53H87NO19
MOLECULAR WEIGHT: 1042.25318
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC
Structure:

CAS RN: 63148-73-2
CAS Name: N,N-diethylethanamine; 4-[(2Z)-2-[(E,4E)-4-(1-heptyl-5-oxo-3-phenyl-2-sulfanylidene-4-imidazolidinylidene)but-2-enylidene]-3-benzo[f][1,3]benzothiazolyl]-2-butanesulfonic acid
OPENEYE Name: N,N-diethylethanamine; 4-[(2Z)-2-[(E,4E)-4-(1-heptyl-5-oxo-3-phenyl-2-thioxo-imidazolidin-4-ylidene)but-2-enylidene]benzo[f][1,3]benzothiazol-3-yl]butane-2-sulfonic acid
IUPAC Name: N,N-diethylethanamine; 4-[(2Z)-2-[(E,4E)-4-(1-heptyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)but-2-enylidene]benzo[f][1,3]benzothiazol-3-yl]butane-2-sulfonic acid
SYSTEMATIC NAME: N,N-diethylethanamine; 4-[(2Z)-2-[(E,4E)-4-(1-heptyl-5-oxidanylidene-3-phenyl-2-sulfanylidene-imidazolidin-4-ylidene)but-2-enylidene]benzo[f][1,3]benzothiazol-3-yl]butane-2-sulfonic acid
MOLECULAR FORMULA: C41H54N4O4S3
MOLECULAR WEIGHT: 763.08686
SMILES: CCCCCCCN1C(=O)/C(=C\C=C\C=C/2\N(C3=CC4=CC=CC=C4C=C3S2)CCC(C)S(=O)(=O)O)/N(C1=S)C5=CC=CC=C5.CCN(CC)CC
Structure:

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