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

Systemtic Name: 3-(hexadecylcarbamoyl)-4-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 3-(hexadecylcarbamoyl)-4-hydroxy-naphthalene-1-sulfonic acid CAS Name: 3-[(hexadecylamino)-oxomethyl]-4-hydroxy-1-naphthalenesulfonic acid IUPAC Name: 3-(hexadecylcarbamoyl)-4-hydroxynaphthalene-1-sulfonic acid Traditional Name: 3-(cetylcarbamoyl)-4-hydroxy-naphthalene-1-sulfonic acid Formula: C27H41NO5S MolecularWeight: 491.68314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)O)O

InChI

InChI=1S/C27H41NO5S/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)