CAS RN: 85294-28-6
CAS Name: (2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenyl-3-indol-1-iumylidene)ethylidene]indole; methyl sulfate
OPENEYE Name: (2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)ethylidene]indoline; methyl sulfate
IUPAC Name: (2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenylindol-1-ium-3-ylidene)ethylidene]indole; methyl sulfate
SYSTEMATIC NAME: (2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)ethylidene]indole; methyl sulfate
MOLECULAR FORMULA: C30H32N2O5S
MOLECULAR WEIGHT: 532.65048
SMILES: CC\1(C2=C(C=CC(=C2)OC)N(/C1=C/C=C/3\C4=CC=CC=C4[N+](=C3C5=CC=CC=C5)C)C)C.COS(=O)(=O)[O-]
Structure:
CAS RN: 85283-78-9
CAS Name: hydrogen sulfate; (2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenyl-3-indol-1-iumylidene)ethylidene]indole
OPENEYE Name: hydrogen sulfate; (2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)ethylidene]indoline
IUPAC Name: hydrogen sulfate; (2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenylindol-1-ium-3-ylidene)ethylidene]indole
SYSTEMATIC NAME: hydrogen sulfate; (2E)-5-methoxy-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)ethylidene]indole
MOLECULAR FORMULA: C29H30N2O5S
MOLECULAR WEIGHT: 518.6239
SMILES: CC\1(C2=C(C=CC(=C2)OC)N(/C1=C/C=C/3\C4=CC=CC=C4[N+](=C3C5=CC=CC=C5)C)C)C.OS(=O)(=O)[O-]
Structure:
CAS RN: 85269-38-1
CAS Name: 2-methyl-2-propenoic acid [3-(dimethylamino)-2,2-dimethylpropyl] ester hydrochloride
OPENEYE Name: [3-(dimethylamino)-2,2-dimethyl-propyl] 2-methylprop-2-enoate hydrochloride
IUPAC Name: [3-(dimethylamino)-2,2-dimethylpropyl] 2-methylprop-2-enoate hydrochloride
SYSTEMATIC NAME: [3-(dimethylamino)-2,2-dimethyl-propyl] 2-methylprop-2-enoate hydrochloride
MOLECULAR FORMULA: C11H22ClNO2
MOLECULAR WEIGHT: 235.75088
SMILES: CC(=C)C(=O)OCC(C)(C)CN(C)C.Cl
Structure:
CAS RN: 85252-27-3
CAS Name: 2-hydroxy-5,6-di(tetradecyl)-1,3,2-benzodioxaborole
OPENEYE Name: 2-hydroxy-5,6-di(tetradecyl)-1,3,2-benzodioxaborole
IUPAC Name: 2-hydroxy-5,6-di(tetradecyl)-1,3,2-benzodioxaborole
SYSTEMATIC NAME: 2-oxidanyl-5,6-di(tetradecyl)-1,3,2-benzodioxaborole
MOLECULAR FORMULA: C34H61BO3
MOLECULAR WEIGHT: 528.65734
SMILES: B1(OC2=C(O1)C=C(C(=C2)CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)O
Structure:
CAS RN: 85237-89-4
CAS Name: 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furancarboxylic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-acetonyl-3-acetyl-4-hydroxy-5-oxo-furan-2-carboxylate
IUPAC Name: propan-2-yl 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)furan-2-carboxylate
SYSTEMATIC NAME: propan-2-yl 3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-(2-oxidanylidenepropyl)furan-2-carboxylate
MOLECULAR FORMULA: C13H16O7
MOLECULAR WEIGHT: 284.26194
SMILES: CC(C)OC(=O)C1(C(=C(C(=O)O1)O)C(=O)C)CC(=O)C
Structure:
CAS RN: 85237-85-0
CAS Name: acetic acid (1-acetamido-2,4-dioxopentyl) ester
OPENEYE Name: (1-acetamido-2,4-dioxo-pentyl) acetate
IUPAC Name: (1-acetamido-2,4-dioxopentyl) acetate
SYSTEMATIC NAME: [1-acetamido-2,4-bis(oxidanylidene)pentyl] ethanoate
MOLECULAR FORMULA: C9H13NO5
MOLECULAR WEIGHT: 215.20322
SMILES: CC(=O)CC(=O)C(NC(=O)C)OC(=O)C
Structure:
CAS RN: 85237-82-7
CAS Name: 2-hydroxyacetic acid (2-butoxy-2-oxoethyl) ester
OPENEYE Name: (2-butoxy-2-oxo-ethyl) 2-hydroxyacetate
IUPAC Name: (2-butoxy-2-oxoethyl) 2-hydroxyacetate
SYSTEMATIC NAME: (2-butoxy-2-oxidanylidene-ethyl) 2-oxidanylethanoate
MOLECULAR FORMULA: C8H14O5
MOLECULAR WEIGHT: 190.19376
SMILES: CCCCOC(=O)COC(=O)CO
Structure:
CAS RN: 85222-97-5
CAS Name: ammonium 2-ethylhexyl hydrogen phosphate
OPENEYE Name: ammonium 2-ethylhexyl hydrogen phosphate
IUPAC Name: azanium 2-ethylhexyl hydrogen phosphate
SYSTEMATIC NAME: azanium 2-ethylhexyl hydrogen phosphate
MOLECULAR FORMULA: C8H22NO4P
MOLECULAR WEIGHT: 227.238341
SMILES: CCCCC(CC)COP(=O)(O)[O-].[NH4+]
Structure:
CAS RN: 85187-93-5
CAS Name: 2-[N-ethyl-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl-dimethyl-(phenylmethyl)ammonium; hydrogen sulfate
OPENEYE Name: benzyl-[2-[N-ethyl-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl]-dimethyl-ammonium; hydrogen sulfate
IUPAC Name: benzyl-[2-[N-ethyl-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl]-dimethylazanium; hydrogen sulfate
SYSTEMATIC NAME: 2-[ethyl-[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]ethyl-dimethyl-(phenylmethyl)azanium; hydrogen sulfate
MOLECULAR FORMULA: C28H34N6O4S2
MOLECULAR WEIGHT: 582.73736
SMILES: CCN(CC[N+](C)(C)CC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=NC(=NS3)C4=CC=CC=C4)C.OS(=O)(=O)[O-]
Structure:
CAS RN: 85187-13-9
CAS Name: hexoxy-methyl-oxophosphonium
OPENEYE Name: hexoxy-methyl-oxo-phosphonium
IUPAC Name: hexoxy-methyl-oxophosphanium
SYSTEMATIC NAME: hexoxy-methyl-oxidanylidene-phosphanium
MOLECULAR FORMULA: C7H16O2P+
MOLECULAR WEIGHT: 163.174501
SMILES: CCCCCCO[P+](=O)C
Structure:
CAS RN: 85169-08-0
CAS Name: strontium hexanedioate
OPENEYE Name: strontium hexanedioate
IUPAC Name: strontium hexanedioate
SYSTEMATIC NAME: strontium hexanedioate
MOLECULAR FORMULA: C6H8O4Sr
MOLECULAR WEIGHT: 231.74532
SMILES: C(CCC(=O)[O-])CC(=O)[O-].[Sr+2]
Structure:
CAS RN: 85168-84-9
CAS Name: 2-(2,3-dimethyl-1-pyridin-1-iumyl)acetate
OPENEYE Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)acetate
IUPAC Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)acetate
SYSTEMATIC NAME: 2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoate
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CC1=C([N+](=CC=C1)CC(=O)[O-])C
Structure:
CAS RN: 85136-54-5
CAS Name: 4-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]azo-3-bromo-5-nitrobenzoic acid 2-methoxyethyl ester
OPENEYE Name: 2-methoxyethyl 4-[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]azo-3-bromo-5-nitro-benzoate
IUPAC Name: 2-methoxyethyl 4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-bromo-5-nitrobenzoate
SYSTEMATIC NAME: 2-methoxyethyl 4-[[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]diazenyl]-3-bromanyl-5-nitro-benzoate
MOLECULAR FORMULA: C21H25BrN4O7
MOLECULAR WEIGHT: 525.3498
SMILES: CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C(C=C(C=C2Br)C(=O)OCCOC)[N+](=O)[O-]
Structure:
CAS RN: 85118-38-3
CAS Name: 1-[2-(2-chloroethoxy)ethyl]pyridin-1-ium chloride
OPENEYE Name: 1-[2-(2-chloroethoxy)ethyl]pyridin-1-ium chloride
IUPAC Name: 1-[2-(2-chloroethoxy)ethyl]pyridin-1-ium chloride
SYSTEMATIC NAME: 1-[2-(2-chloroethyloxy)ethyl]pyridin-1-ium chloride
MOLECULAR FORMULA: C9H13Cl2NO
MOLECULAR WEIGHT: 222.11162
SMILES: C1=CC=[N+](C=C1)CCOCCCl.[Cl-]
Structure:
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