5-[(4-bromanyl-1-oxidanyl-naphthalen-2-yl)carbonyl-octadecyl-amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(4-bromanyl-1-oxidanyl-naphthalen-2-yl)carbonyl-octadecyl-amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(4-bromo-1-hydroxy-naphthalene-2-carbonyl)-octadecyl-amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(4-bromo-1-hydroxy-2-naphthalenyl)-oxomethyl]-octadecylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(4-bromo-1-hydroxynaphthalene-2-carbonyl)-octadecylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(4-bromo-1-hydroxy-2-naphthoyl)-stearyl-amino]isophthalic acid Formula: C37H48BrNO6 MolecularWeight: 682.68412

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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)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C37H48BrNO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-39(29-24-27(36(42)43)23-28(25-29)37(44)45)35(41)32-26-33(38)30-20-17-18-21-31(30)34(32)40/h17-18,20-21,23-26,40H,2-16,19,22H2,1H3,(H,42,43)(H,44,45)