2-[2-[3-[(2-octadecoxy-5-sulfo-phenyl)carbamoyl]-4-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]benzoic acid

Systemtic Name: 2-[2-[3-[(2-octadecoxy-5-sulfo-phenyl)carbamoyl]-4-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]benzoic acid Openeye Name: 2-[2-[3-[(2-octadecoxy-5-sulfo-phenyl)carbamoyl]-4-oxo-1-naphthylidene]hydrazino]benzoic acid CAS Name: 2-[2-[3-[(2-octadecoxy-5-sulfoanilino)-oxomethyl]-4-oxo-1-naphthalenylidene]hydrazinyl]benzoic acid IUPAC Name: 2-[2-[3-[(2-octadecoxy-5-sulfophenyl)carbamoyl]-4-oxonaphthalen-1-ylidene]hydrazinyl]benzoic acid Traditional Name: 2-[N'-[4-keto-3-[(2-stearyloxy-5-sulfo-phenyl)carbamoyl]-1-naphthylidene]hydrazino]benzoic acid Formula: C42H53N3O8S MolecularWeight: 759.95052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)C2=CC(=NNC3=CC=CC=C3C(=O)O)C4=CC=CC=C4C2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)C2=CC(=NNC3=CC=CC=C3C(=O)O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C42H53N3O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-53-39-27-26-31(54(50,51)52)29-38(39)43-41(47)35-30-37(32-22-17-18-23-33(32)40(35)46)45-44-36-25-20-19-24-34(36)42(48)49/h17-20,22-27,29-30,44H,2-16,21,28H2,1H3,(H,43,47)(H,48,49)(H,50,51,52)