3-(octadecanoylcarbamoyl)-4-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 3-(octadecanoylcarbamoyl)-4-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-hydroxy-3-(octadecanoylcarbamoyl)naphthalene-1-sulfonic acid CAS Name: 4-hydroxy-3-[oxo-(1-oxooctadecylamino)methyl]-1-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-3-(octadecanoylcarbamoyl)naphthalene-1-sulfonic acid Traditional Name: 4-hydroxy-3-(stearoylcarbamoyl)naphthalene-1-sulfonic acid Formula: C29H43NO6S MolecularWeight: 533.71982

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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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(=O)C1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)O)O

InChI

InChI=1S/C29H43NO6S/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)