sodium 3-(octadecanoylcarbamoyl)-4-oxidanyl-naphthalene-1-sulfonate

Systemtic Name: sodium 3-(octadecanoylcarbamoyl)-4-oxidanyl-naphthalene-1-sulfonate Openeye Name: sodium 4-hydroxy-3-(octadecanoylcarbamoyl)naphthalene-1-sulfonate CAS Name: sodium 4-hydroxy-3-[oxo-(1-oxooctadecylamino)methyl]-1-naphthalenesulfonate IUPAC Name: sodium 4-hydroxy-3-(octadecanoylcarbamoyl)naphthalene-1-sulfonate Traditional Name: sodium 4-hydroxy-3-(stearoylcarbamoyl)naphthalene-1-sulfonate Formula: C29H42NNaO6S MolecularWeight: 555.70165

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(=O)C1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(=O)C1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C29H43NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27(31)30-29(33)25-22-26(37(34,35)36)23-19-17-18-20-24(23)28(25)32;/h17-20,22,32H,2-16,21H2,1H3,(H,30,31,33)(H,34,35,36);/q;+1/p-1