[3-(hexadecanoylamino)-4-(1-methoxyethoxymethoxy)naphthalen-2-yl] benzenesulfonate

Systemtic Name: [3-(hexadecanoylamino)-4-(1-methoxyethoxymethoxy)naphthalen-2-yl] benzenesulfonate Openeye Name: [3-(hexadecanoylamino)-4-(1-methoxyethoxymethoxy)-2-naphthyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-(1-methoxyethoxymethoxy)-3-(1-oxohexadecylamino)-2-naphthalenyl] ester IUPAC Name: [3-(hexadecanoylamino)-4-(1-methoxyethoxymethoxy)naphthalen-2-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(1-methoxyethoxymethoxy)-3-palmitamido-2-naphthyl] ester Formula: C36H51NO7S MolecularWeight: 641.85764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=C(C2=CC=CC=C2C=C1OS(=O)(=O)C3=CC=CC=C3)OCOC(C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=C(C2=CC=CC=C2C=C1OS(=O)(=O)C3=CC=CC=C3)OCOC(C)OC

InChI

InChI=1S/C36H51NO7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-26-34(38)37-35-33(44-45(39,40)31-23-17-16-18-24-31)27-30-22-20-21-25-32(30)36(35)43-28-42-29(2)41-3/h16-18,20-25,27,29H,4-15,19,26,28H2,1-3H3,(H,37,38)