4-(hexadecanoylamino)-3-hexadecanoyloxy-naphthalene-1-sulfonic acid

Systemtic Name: 4-(hexadecanoylamino)-3-hexadecanoyloxy-naphthalene-1-sulfonic acid Openeye Name: 4-(hexadecanoylamino)-3-hexadecanoyloxy-naphthalene-1-sulfonic acid CAS Name: 3-(1-oxohexadecoxy)-4-(1-oxohexadecylamino)-1-naphthalenesulfonic acid IUPAC Name: 4-(hexadecanoylamino)-3-hexadecanoyloxynaphthalene-1-sulfonic acid Traditional Name: 3-hexadecanoyloxy-4-palmitamido-naphthalene-1-sulfonic acid Formula: C42H69NO6S MolecularWeight: 716.06536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C42H69NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-40(44)43-42-37-32-30-29-31-36(37)39(50(46,47)48)35-38(42)49-41(45)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35H,3-28,33-34H2,1-2H3,(H,43,44)(H,46,47,48)