2-[1-[4-[4-[(2,3-dimethylphenyl)diazenyl]phenyl]carbonyloxyphenoxy]ethoxycarbonyl]terephthalic acid; 9-phenoxynonyl prop-2-enoate

Systemtic Name: 2-[1-[4-[4-[(2,3-dimethylphenyl)diazenyl]phenyl]carbonyloxyphenoxy]ethoxycarbonyl]terephthalic acid; 9-phenoxynonyl prop-2-enoate Openeye Name: 2-[1-[4-[4-(2,3-dimethylphenyl)azobenzoyl]oxyphenoxy]ethoxycarbonyl]terephthalic acid; 9-phenoxynonyl prop-2-enoate CAS Name: 2-[1-[4-[[4-(2,3-dimethylphenyl)azophenyl]-oxomethoxy]phenoxy]ethoxy-oxomethyl]terephthalic acid; 2-propenoic acid 9-phenoxynonyl ester IUPAC Name: 2-[1-[4-[4-[(2,3-dimethylphenyl)diazenyl]benzoyl]oxyphenoxy]ethoxycarbonyl]terephthalic acid; 9-phenoxynonyl prop-2-enoate Traditional Name: acrylic acid 9-phenoxynonyl ester; 2-[1-[4-[4-(2,3-dimethylphenyl)azobenzoyl]oxyphenoxy]ethoxycarbonyl]terephthalic acid Formula: C50H52N2O12 MolecularWeight: 872.95408

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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)OC(C)OC(=O)C4=C(C=CC(=C4)C(=O)O)C(=O)O)C.C=CC(=O)OCCCCCCCCCOC1=CC=CC=C1

Isomeric SMILES

CC1=C(C(=CC=C1)N=NC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OC(C)OC(=O)C4=C(C=CC(=C4)C(=O)O)C(=O)O)C.C=CC(=O)OCCCCCCCCCOC1=CC=CC=C1

InChI

InChI=1S/C32H26N2O9.C18H26O3/c1-18-5-4-6-28(19(18)2)34-33-23-10-7-21(8-11-23)31(39)43-25-14-12-24(13-15-25)41-20(3)42-32(40)27-17-22(29(35)36)9-16-26(27)30(37)38;1-2-18(19)21-16-12-7-5-3-4-6-11-15-20-17-13-9-8-10-14-17/h4-17,20H,1-3H3,(H,35,36)(H,37,38);2,8-10,13-14H,1,3-7,11-12,15-16H2