2-[[4-(2-azanyl-5-nitro-4-octoxy-phenyl)carbonyloxyphenyl]methoxycarbonyl]terephthalic acid; 9-phenoxynonyl prop-2-enoate

Systemtic Name: 2-[[4-(2-azanyl-5-nitro-4-octoxy-phenyl)carbonyloxyphenyl]methoxycarbonyl]terephthalic acid; 9-phenoxynonyl prop-2-enoate Openeye Name: 2-[[4-(2-amino-5-nitro-4-octoxy-benzoyl)oxyphenyl]methoxycarbonyl]terephthalic acid; 9-phenoxynonyl prop-2-enoate CAS Name: 2-[[4-[(2-amino-5-nitro-4-octoxyphenyl)-oxomethoxy]phenyl]methoxy-oxomethyl]terephthalic acid; 2-propenoic acid 9-phenoxynonyl ester IUPAC Name: 2-[[4-(2-amino-5-nitro-4-octoxybenzoyl)oxyphenyl]methoxycarbonyl]terephthalic acid; 9-phenoxynonyl prop-2-enoate Traditional Name: acrylic acid 9-phenoxynonyl ester; 2-[4-(2-amino-5-nitro-4-octoxy-benzoyl)oxybenzyl]oxycarbonylterephthalic acid Formula: C49H58N2O14 MolecularWeight: 898.98982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)N)C(=O)OC2=CC=C(C=C2)COC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-].C=CC(=O)OCCCCCCCCCOC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)N)C(=O)OC2=CC=C(C=C2)COC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-].C=CC(=O)OCCCCCCCCCOC1=CC=CC=C1

InChI

InChI=1S/C31H32N2O11.C18H26O3/c1-2-3-4-5-6-7-14-42-27-17-25(32)24(16-26(27)33(40)41)31(39)44-21-11-8-19(9-12-21)18-43-30(38)23-15-20(28(34)35)10-13-22(23)29(36)37;1-2-18(19)21-16-12-7-5-3-4-6-11-15-20-17-13-9-8-10-14-17/h8-13,15-17H,2-7,14,18,32H2,1H3,(H,34,35)(H,36,37);2,8-10,13-14H,1,3-7,11-12,15-16H2