2-[1-[2-azanyl-5-nitro-3-(4-octoxyphenyl)carbonyloxy-phenoxy]ethoxycarbonyl]terephthalic acid; 10-phenoxydecyl prop-2-enoate

Systemtic Name: 2-[1-[2-azanyl-5-nitro-3-(4-octoxyphenyl)carbonyloxy-phenoxy]ethoxycarbonyl]terephthalic acid; 10-phenoxydecyl prop-2-enoate Openeye Name: 2-[1-[2-amino-5-nitro-3-(4-octoxybenzoyl)oxy-phenoxy]ethoxycarbonyl]terephthalic acid; 10-phenoxydecyl prop-2-enoate CAS Name: 2-[1-[2-amino-5-nitro-3-[(4-octoxyphenyl)-oxomethoxy]phenoxy]ethoxy-oxomethyl]terephthalic acid; 2-propenoic acid 10-phenoxydecyl ester IUPAC Name: 2-[1-[2-amino-5-nitro-3-(4-octoxybenzoyl)oxyphenoxy]ethoxycarbonyl]terephthalic acid; 10-phenoxydecyl prop-2-enoate Traditional Name: acrylic acid 10-phenoxydecyl ester; 2-[1-[2-amino-5-nitro-3-(4-octoxybenzoyl)oxy-phenoxy]ethoxycarbonyl]terephthalic acid Formula: C51H62N2O15 MolecularWeight: 943.04238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=CC(=C2)[N+](=O)[O-])OC(C)OC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)N.C=CC(=O)OCCCCCCCCCCOC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=CC(=C2)[N+](=O)[O-])OC(C)OC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)N.C=CC(=O)OCCCCCCCCCCOC1=CC=CC=C1

InChI

InChI=1S/C32H34N2O12.C19H28O3/c1-3-4-5-6-7-8-15-43-23-12-9-20(10-13-23)31(39)46-27-18-22(34(41)42)17-26(28(27)33)44-19(2)45-32(40)25-16-21(29(35)36)11-14-24(25)30(37)38;1-2-19(20)22-17-13-8-6-4-3-5-7-12-16-21-18-14-10-9-11-15-18/h9-14,16-19H,3-8,15,33H2,1-2H3,(H,35,36)(H,37,38);2,9-11,14-15H,1,3-8,12-13,16-17H2