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

Systemtic Name: 5-[octadecyl-(1-oxidanylnaphthalen-2-yl)carbonyl-amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(1-hydroxynaphthalene-2-carbonyl)-octadecyl-amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(1-hydroxy-2-naphthalenyl)-oxomethyl]-octadecylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(1-hydroxynaphthalene-2-carbonyl)-octadecylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(1-hydroxy-2-naphthoyl)-stearyl-amino]isophthalic acid Formula: C37H49NO6 MolecularWeight: 603.78806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-38(31-26-29(36(41)42)25-30(27-31)37(43)44)35(40)33-23-22-28-20-17-18-21-32(28)34(33)39/h17-18,20-23,25-27,39H,2-16,19,24H2,1H3,(H,41,42)(H,43,44)