5-[hexadecyl-(1-oxidanylnaphthalen-2-yl)carbonyl-amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[hexadecyl-(1-oxidanylnaphthalen-2-yl)carbonyl-amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[hexadecyl-(1-hydroxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[hexadecyl-[(1-hydroxy-2-naphthalenyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[hexadecyl-(1-hydroxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[cetyl-(1-hydroxy-2-naphthoyl)amino]isophthalic acid Formula: C35H45NO6 MolecularWeight: 575.7349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C=C2)O

InChI

InChI=1S/C35H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-36(29-24-27(34(39)40)23-28(25-29)35(41)42)33(38)31-21-20-26-18-15-16-19-30(26)32(31)37/h15-16,18-21,23-25,37H,2-14,17,22H2,1H3,(H,39,40)(H,41,42)