2-[[4-[4-[(2,3-dimethylphenyl)diazenyl]phenyl]carbonyloxyphenyl]methoxycarbonyl]terephthalic acid; 12-phenoxydodecyl prop-2-enoate

Systemtic Name: 2-[[4-[4-[(2,3-dimethylphenyl)diazenyl]phenyl]carbonyloxyphenyl]methoxycarbonyl]terephthalic acid; 12-phenoxydodecyl prop-2-enoate Openeye Name: 2-[[4-[4-(2,3-dimethylphenyl)azobenzoyl]oxyphenyl]methoxycarbonyl]terephthalic acid; 12-phenoxydodecyl prop-2-enoate CAS Name: 2-[[4-[[4-(2,3-dimethylphenyl)azophenyl]-oxomethoxy]phenyl]methoxy-oxomethyl]terephthalic acid; 2-propenoic acid 12-phenoxydodecyl ester IUPAC Name: 2-[[4-[4-[(2,3-dimethylphenyl)diazenyl]benzoyl]oxyphenyl]methoxycarbonyl]terephthalic acid; 12-phenoxydodecyl prop-2-enoate Traditional Name: acrylic acid 12-phenoxydodecyl ester; 2-[4-[4-(2,3-dimethylphenyl)azobenzoyl]oxybenzyl]oxycarbonylterephthalic acid Formula: C52H56N2O11 MolecularWeight: 885.00784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N=NC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)COC(=O)C4=C(C=CC(=C4)C(=O)O)C(=O)O)C.C=CC(=O)OCCCCCCCCCCCCOC1=CC=CC=C1

Isomeric SMILES

CC1=C(C(=CC=C1)N=NC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)COC(=O)C4=C(C=CC(=C4)C(=O)O)C(=O)O)C.C=CC(=O)OCCCCCCCCCCCCOC1=CC=CC=C1

InChI

InChI=1S/C31H24N2O8.C21H32O3/c1-18-4-3-5-27(19(18)2)33-32-23-11-8-21(9-12-23)30(38)41-24-13-6-20(7-14-24)17-40-31(39)26-16-22(28(34)35)10-15-25(26)29(36)37;1-2-21(22)24-19-15-10-8-6-4-3-5-7-9-14-18-23-20-16-12-11-13-17-20/h3-16H,17H2,1-2H3,(H,34,35)(H,36,37);2,11-13,16-17H,1,3-10,14-15,18-19H2