CAS RN: 71551-50-3
CAS Name: 2-ethyl-1-hexanol; hexanedioic acid; isobenzofuran-1,3-dione; propane-1,2-diol
OPENEYE Name: adipic acid; 2-ethylhexan-1-ol; isobenzofuran-1,3-dione; propane-1,2-diol
IUPAC Name: 2-benzofuran-1,3-dione; 2-ethylhexan-1-ol; hexanedioic acid; propane-1,2-diol
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; 2-ethylhexan-1-ol; hexanedioic acid; propane-1,2-diol
MOLECULAR FORMULA: C25H40O10
MOLECULAR WEIGHT: 500.5791
SMILES: CCCCC(CC)CO.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 73049-30-6
CAS Name: 2-ethyl-1-hexanol; hexanedioic acid; isobenzofuran-1,3-dione; propane-1,2-diol
OPENEYE Name: adipic acid; 2-ethylhexan-1-ol; isobenzofuran-1,3-dione; propane-1,2-diol
IUPAC Name: 2-benzofuran-1,3-dione; 2-ethylhexan-1-ol; hexanedioic acid; propane-1,2-diol
SYSTEMATIC NAME: 2-benzofuran-1,3-dione; 2-ethylhexan-1-ol; hexanedioic acid; propane-1,2-diol
MOLECULAR FORMULA: C25H40O10
MOLECULAR WEIGHT: 500.5791
SMILES: CCCCC(CC)CO.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 71550-64-6
CAS Name: 2-propenoic acid 3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(1-oxoprop-2-enoxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl ester
OPENEYE Name: 3-[2,4,6,8-tetramethyl-4,6,8-tris(3-prop-2-enoyloxypropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl prop-2-enoate
IUPAC Name: 3-[2,4,6,8-tetramethyl-4,6,8-tris(3-prop-2-enoyloxypropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl prop-2-enoate
SYSTEMATIC NAME: 3-[2,4,6,8-tetramethyl-4,6,8-tris(3-prop-2-enoyloxypropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl prop-2-enoate
MOLECULAR FORMULA: C28H48O12Si4
MOLECULAR WEIGHT: 689.01552
SMILES: C[Si]1(O[Si](O[Si](O[Si](O1)(C)CCCOC(=O)C=C)(C)CCCOC(=O)C=C)(C)CCCOC(=O)C=C)CCCOC(=O)C=C
Structure:
CAS RN: 71550-34-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H40O6
MOLECULAR WEIGHT: 712.8276
SMILES: CCCCCCC(=O)OC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OC(=O)CCCCCC
Structure:
CAS RN: 85369-04-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H40O6
MOLECULAR WEIGHT: 712.8276
SMILES: CCCCCCC(=O)OC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OC(=O)CCCCCC
Structure:
CAS RN: 71550-33-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H56O4
MOLECULAR WEIGHT: 769.02004
SMILES: CCCCCCCCCCOC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OCCCCCCCCCC
Structure:
CAS RN: 71550-00-0
CAS Name: sodium; chromium(3+); 5,8-dichloro-2-(2-oxido-5-sulfamoylphenyl)azo-1-naphthalenolate
OPENEYE Name: chromic sodium 5,8-dichloro-2-(2-oxido-5-sulfamoyl-phenyl)azo-naphthalen-1-olate
IUPAC Name: sodium; chromium(3+); 5,8-dichloro-2-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-1-olate
SYSTEMATIC NAME: sodium; 5,8-bis(chloranyl)-2-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalen-1-olate; chromium(3+)
MOLECULAR FORMULA: C32H18Cl4CrN6NaO8S2
MOLECULAR WEIGHT: 895.44859
SMILES: C1=CC(=C(C=C1S(=O)(=O)N)N=NC2=C(C3=C(C=CC(=C3C=C2)Cl)Cl)[O-])[O-].C1=CC(=C(C=C1S(=O)(=O)N)N=NC2=C(C3=C(C=CC(=C3C=C2)Cl)Cl)[O-])[O-].[Na+].[Cr+3]
Structure:
CAS RN: 71549-87-6
CAS Name: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione; 2,2-bis(bromomethyl)propane-1,3-diol; ethane-1,2-diol; furan-2,5-dione
OPENEYE Name: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione; 2,2-bis(bromomethyl)propane-1,3-diol; ethylene glycol; furan-2,5-dione
IUPAC Name: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; 2,2-bis(bromomethyl)propane-1,3-diol; ethane-1,2-diol; furan-2,5-dione
SYSTEMATIC NAME: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; 2,2-bis(bromomethyl)propane-1,3-diol; ethane-1,2-diol; furan-2,5-dione
MOLECULAR FORMULA: C19H26Br2O10
MOLECULAR WEIGHT: 574.21174
SMILES: C1C=CCC2C1C(=O)OC2=O.C1=CC(=O)OC1=O.C(CO)O.C(C(CO)(CBr)CBr)O
Structure:
CAS RN: 71549-77-4
CAS Name: acetic acid acetyl ester; 8,8-dimethyl-1-(1-methylethenyl)-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene
OPENEYE Name: acetyl acetate; 1-isopropenyl-8,8-dimethyl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene
IUPAC Name: acetyl acetate; 8,8-dimethyl-1-prop-1-en-2-yl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene
SYSTEMATIC NAME: 8,8-dimethyl-1-prop-1-en-2-yl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene; ethanoyl ethanoate
MOLECULAR FORMULA: C19H32O3
MOLECULAR WEIGHT: 308.45558
SMILES: CC(=C)C1CCC2C1C(CCCC2)(C)C.CC(=O)OC(=O)C
Structure:
CAS RN: 21091-20-3
CAS Name: 2-(2,4-ditert-butylphenoxy)-5,5-dimethyl-1,3,2-dioxaphosphorinane
OPENEYE Name: 2-(2,4-ditert-butylphenoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
IUPAC Name: 2-(2,4-ditert-butylphenoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
SYSTEMATIC NAME: 2-(2,4-ditert-butylphenoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
MOLECULAR FORMULA: C19H31O3P
MOLECULAR WEIGHT: 338.421401
SMILES: CC1(COP(OC1)OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)C
Structure:
CAS RN: 71519-95-4
CAS Name: 2-(2,4-ditert-butylphenoxy)-5,5-dimethyl-1,3,2-dioxaphosphorinane
OPENEYE Name: 2-(2,4-ditert-butylphenoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
IUPAC Name: 2-(2,4-ditert-butylphenoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
SYSTEMATIC NAME: 2-(2,4-ditert-butylphenoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
MOLECULAR FORMULA: C19H31O3P
MOLECULAR WEIGHT: 338.421401
SMILES: CC1(COP(OC1)OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)C
Structure:
CAS RN: 71519-94-3
CAS Name: 3-(5-acetamido-2-methoxyanilino)butanoic acid ethyl ester
OPENEYE Name: ethyl 3-(5-acetamido-2-methoxy-anilino)butanoate
IUPAC Name: ethyl 3-(5-acetamido-2-methoxyanilino)butanoate
SYSTEMATIC NAME: ethyl 3-[(5-acetamido-2-methoxy-phenyl)amino]butanoate
MOLECULAR FORMULA: C15H22N2O4
MOLECULAR WEIGHT: 294.34618
SMILES: CCOC(=O)CC(C)NC1=C(C=CC(=C1)NC(=O)C)OC
Structure:
CAS RN: 71519-93-2
CAS Name: 3-[5-acetamido-4-(2-bromo-4,6-dinitrophenyl)azo-2-methoxyanilino]butanoic acid ethyl ester
OPENEYE Name: ethyl 3-[5-acetamido-4-(2-bromo-4,6-dinitro-phenyl)azo-2-methoxy-anilino]butanoate
IUPAC Name: ethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]butanoate
SYSTEMATIC NAME: ethyl 3-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]amino]butanoate
MOLECULAR FORMULA: C21H23BrN6O8
MOLECULAR WEIGHT: 567.34672
SMILES: CCOC(=O)CC(C)NC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC
Structure:
CAS RN: 71519-80-7
CAS Name: benzene-1,3-dicarbonyl chloride; benzene-1,4-dicarbonyl chloride; carbonic dichloride; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: benzene-1,3-dicarbonyl chloride; benzene-1,4-dicarbonyl chloride; carbonyl dichloride; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: benzene-1,3-dicarbonyl chloride; benzene-1,4-dicarbonyl chloride; carbonyl dichloride; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: benzene-1,3-dicarbonyl chloride; benzene-1,4-dicarbonyl chloride; carbonyl dichloride; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C32H24Cl6O7
MOLECULAR WEIGHT: 733.24676
SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl.C1=CC(=CC=C1C(=O)Cl)C(=O)Cl.C(=O)(Cl)Cl
Structure:
CAS RN: 88385-67-5
CAS Name: benzene-1,3-dicarbonyl chloride; benzene-1,4-dicarbonyl chloride; carbonic dichloride; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: benzene-1,3-dicarbonyl chloride; benzene-1,4-dicarbonyl chloride; carbonyl dichloride; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: benzene-1,3-dicarbonyl chloride; benzene-1,4-dicarbonyl chloride; carbonyl dichloride; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: benzene-1,3-dicarbonyl chloride; benzene-1,4-dicarbonyl chloride; carbonyl dichloride; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C32H24Cl6O7
MOLECULAR WEIGHT: 733.24676
SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl.C1=CC(=CC=C1C(=O)Cl)C(=O)Cl.C(=O)(Cl)Cl
Structure:
CAS RN: 71519-77-2
CAS Name: 2-azepanone; 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; 2-(2-hydroxyethoxy)ethanol
OPENEYE Name: azepan-2-one; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; 2-(2-hydroxyethoxy)ethanol
IUPAC Name: azepan-2-one; 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; 2-(2-hydroxyethoxy)ethanol
SYSTEMATIC NAME: azepan-2-one; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; 2-(2-hydroxyethyloxy)ethanol
MOLECULAR FORMULA: C28H33N5O8
MOLECULAR WEIGHT: 567.59032
SMILES: CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O.C1CCC(=O)NCC1.C(COCCO)O
Structure:
CAS RN: 71491-24-2
CAS Name: (2S)-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-5-[(1-oxo-2-phosphonoethyl)amino]pentanoic acid
OPENEYE Name: (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-[(2-phosphonoacetyl)amino]pentanoic acid
IUPAC Name: (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-[(2-phosphonoacetyl)amino]pentanoic acid
SYSTEMATIC NAME: (2S)-2-[2-(2-azanylethanoylamino)ethanoylamino]-5-(2-phosphonoethanoylamino)pentanoic acid
MOLECULAR FORMULA: C11H21N4O8P
MOLECULAR WEIGHT: 368.280201
SMILES: C(C[C@@H](C(=O)O)NC(=O)CNC(=O)CN)CNC(=O)CP(=O)(O)O
Structure:
CAS RN: 71487-10-0
CAS Name: acetic acid; acetic acid 2-[N-(2-cyanoethyl)anilino]ethyl ester
OPENEYE Name: acetic acid; 2-[N-(2-cyanoethyl)anilino]ethyl acetate
IUPAC Name: acetic acid; 2-[N-(2-cyanoethyl)anilino]ethyl acetate
SYSTEMATIC NAME: 2-[2-cyanoethyl(phenyl)amino]ethyl ethanoate; ethanoic acid
MOLECULAR FORMULA: C15H20N2O4
MOLECULAR WEIGHT: 292.3303
SMILES: CC(=O)O.CC(=O)OCCN(CCC#N)C1=CC=CC=C1
Structure:
CAS RN: 71486-48-1
CAS Name: benzene-1,2-dicarboxylic acid O2-cyclohexyl ester O1-(6-methylheptyl) ester
OPENEYE Name: O2-cyclohexyl O1-(6-methylheptyl) benzene-1,2-dicarboxylate
IUPAC Name: 2-O-cyclohexyl 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate
SYSTEMATIC NAME: O2-cyclohexyl O1-(6-methylheptyl) benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C22H32O4
MOLECULAR WEIGHT: 360.48708
SMILES: CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OC2CCCCC2
Structure:
CAS RN: 71477-87-7
CAS Name: 4-[2-chloroethyl(ethyl)amino]benzaldehyde; 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole; 4-methylpyridine
OPENEYE Name: 4-[2-chloroethyl(ethyl)amino]benzaldehyde; 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole; 4-methylpyridine
IUPAC Name: 4-[2-chloroethyl(ethyl)amino]benzaldehyde; 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole; 4-methylpyridine
SYSTEMATIC NAME: 4-[2-chloroethyl(ethyl)amino]benzaldehyde; 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole; 4-methylpyridine
MOLECULAR FORMULA: C27H31ClN4O
MOLECULAR WEIGHT: 463.01424
SMILES: CCN(CCCl)C1=CC=C(C=C1)C=O.CC1=CC=NC=C1.C1CC2=NC3=CC=CC=C3N2C1
Structure:
CAS RN: 71477-86-6
CAS Name: 4-[2-chloroethyl(ethyl)amino]benzaldehyde; 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
OPENEYE Name: 4-[2-chloroethyl(ethyl)amino]benzaldehyde; 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
IUPAC Name: 4-[2-chloroethyl(ethyl)amino]benzaldehyde; 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SYSTEMATIC NAME: 4-[2-chloroethyl(ethyl)amino]benzaldehyde; 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
MOLECULAR FORMULA: C21H24ClN3O
MOLECULAR WEIGHT: 369.88776
SMILES: CCN(CCCl)C1=CC=C(C=C1)C=O.C1CC2=NC3=CC=CC=C3N2C1
Structure:
CAS RN: 71477-80-0
CAS Name: 3-methylbutanoic acid [5-methyl-2-(1-methylethenyl)cyclohexyl] ester
OPENEYE Name: (2-isopropenyl-5-methyl-cyclohexyl) 3-methylbutanoate
IUPAC Name: (5-methyl-2-prop-1-en-2-ylcyclohexyl) 3-methylbutanoate
SYSTEMATIC NAME: (5-methyl-2-prop-1-en-2-yl-cyclohexyl) 3-methylbutanoate
MOLECULAR FORMULA: C15H26O2
MOLECULAR WEIGHT: 238.36574
SMILES: CC1CCC(C(C1)OC(=O)CC(C)C)C(=C)C
Structure:
CAS RN: 71477-79-7
CAS Name: 5-(4-methylpent-3-enyl)-3,6-dihydro-2H-pyran
OPENEYE Name: 5-(4-methylpent-3-enyl)-3,6-dihydro-2H-pyran
IUPAC Name: 5-(4-methylpent-3-enyl)-3,6-dihydro-2H-pyran
SYSTEMATIC NAME: 5-(4-methylpent-3-enyl)-3,6-dihydro-2H-pyran
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC(=CCCC1=CCCOC1)C
Structure:
CAS RN: 71463-70-2
CAS Name: 10-(diethylamino)-5-methoxy-1'-spiro[benzo[c]xanthene-7,3'-isobenzofuran]one
OPENEYE Name: 10-(diethylamino)-5-methoxy-spiro[benzo[c]xanthene-7,3'-isobenzofuran]-1'-one
IUPAC Name: 10'-(diethylamino)-5'-methoxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
SYSTEMATIC NAME: 10'-(diethylamino)-5'-methoxy-spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
MOLECULAR FORMULA: C29H25NO4
MOLECULAR WEIGHT: 451.5131
SMILES: CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C6=CC=CC=C6C(=C5)OC
Structure:
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