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

Systemtic Name: sodium 3-(octadecylcarbamoyl)-4-oxidanyl-naphthalene-1-sulfonate Openeye Name: sodium 4-hydroxy-3-(octadecylcarbamoyl)naphthalene-1-sulfonate CAS Name: sodium 4-hydroxy-3-[(octadecylamino)-oxomethyl]-1-naphthalenesulfonate IUPAC Name: sodium 4-hydroxy-3-(octadecylcarbamoyl)naphthalene-1-sulfonate Traditional Name: sodium 4-hydroxy-3-(stearylcarbamoyl)naphthalene-1-sulfonate Formula: C29H44NNaO5S MolecularWeight: 541.71813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45NO5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-29(32)26-23-27(36(33,34)35)24-20-17-18-21-25(24)28(26)31;/h17-18,20-21,23,31H,2-16,19,22H2,1H3,(H,30,32)(H,33,34,35);/q;+1/p-1