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

Systemtic Name: 5-[octadecyl-[1-oxidanyl-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)naphthalen-2-yl]carbonyl-amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-(2-anilino-2-oxo-ethoxy)-1-hydroxy-naphthalene-2-carbonyl]-octadecyl-amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[4-(2-anilino-2-oxoethoxy)-1-hydroxy-2-naphthalenyl]-oxomethyl]-octadecylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-(2-anilino-2-oxoethoxy)-1-hydroxynaphthalene-2-carbonyl]-octadecylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-(2-anilino-2-keto-ethoxy)-1-hydroxy-2-naphthoyl]-stearyl-amino]isophthalic acid Formula: C45H56N2O8 MolecularWeight: 752.93474

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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)OCC(=O)NC4=CC=CC=C4)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C(=C2)OCC(=O)NC4=CC=CC=C4)O

InChI

InChI=1S/C45H56N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-47(36-29-33(44(51)52)28-34(30-36)45(53)54)43(50)39-31-40(37-25-20-21-26-38(37)42(39)49)55-32-41(48)46-35-23-18-17-19-24-35/h17-21,23-26,28-31,49H,2-16,22,27,32H2,1H3,(H,46,48)(H,51,52)(H,53,54)