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

Systemtic Name: sodium 3-(hexadecylcarbamoyl)-4-oxidanyl-naphthalene-1-sulfonate Openeye Name: sodium 3-(hexadecylcarbamoyl)-4-hydroxy-naphthalene-1-sulfonate CAS Name: sodium 3-[(hexadecylamino)-oxomethyl]-4-hydroxy-1-naphthalenesulfonate IUPAC Name: sodium 3-(hexadecylcarbamoyl)-4-hydroxynaphthalene-1-sulfonate Traditional Name: sodium 3-(cetylcarbamoyl)-4-hydroxy-naphthalene-1-sulfonate Formula: C27H40NNaO5S MolecularWeight: 513.66497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-27(30)24-21-25(34(31,32)33)22-18-15-16-19-23(22)26(24)29;/h15-16,18-19,21,29H,2-14,17,20H2,1H3,(H,28,30)(H,31,32,33);/q;+1/p-1