6-[5-(2-carboxyethylamino)-2,4-dinitro-phenoxy]-6-(4-nonylphenyl)hexanoic acid

Systemtic Name: 6-[5-(2-carboxyethylamino)-2,4-dinitro-phenoxy]-6-(4-nonylphenyl)hexanoic acid Openeye Name: 6-[5-(2-carboxyethylamino)-2,4-dinitro-phenoxy]-6-(4-nonylphenyl)hexanoic acid CAS Name: 6-[5-(2-carboxyethylamino)-2,4-dinitrophenoxy]-6-(4-nonylphenyl)hexanoic acid IUPAC Name: 6-[5-(2-carboxyethylamino)-2,4-dinitrophenoxy]-6-(4-nonylphenyl)hexanoic acid Traditional Name: 6-[5-(2-carboxyethylamino)-2,4-dinitro-phenoxy]-6-(4-nonylphenyl)hexanoic acid Formula: C30H41N3O9 MolecularWeight: 587.66124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)O)OC2=C(C=C(C(=C2)NCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)O)OC2=C(C=C(C(=C2)NCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C30H41N3O9/c1-2-3-4-5-6-7-8-11-22-14-16-23(17-15-22)27(12-9-10-13-29(34)35)42-28-20-24(31-19-18-30(36)37)25(32(38)39)21-26(28)33(40)41/h14-17,20-21,27,31H,2-13,18-19H2,1H3,(H,34,35)(H,36,37)