1-oxidanyl-5-(10-sulfooxyoctadecanoylamino)naphthalene-2-sulfonic acid

Systemtic Name: 1-oxidanyl-5-(10-sulfooxyoctadecanoylamino)naphthalene-2-sulfonic acid Openeye Name: 1-hydroxy-5-(10-sulfooxyoctadecanoylamino)naphthalene-2-sulfonic acid CAS Name: 1-hydroxy-5-[(1-oxo-10-sulfooxyoctadecyl)amino]-2-naphthalenesulfonic acid IUPAC Name: 1-hydroxy-5-(10-sulfooxyoctadecanoylamino)naphthalene-2-sulfonic acid Traditional Name: 1-hydroxy-5-(10-sulfoxyoctadecanoylamino)naphthalene-2-sulfonic acid Formula: C28H43NO9S2 MolecularWeight: 601.77232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCCC(=O)NC1=CC=CC2=C1C=CC(=C2O)S(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCC(CCCCCCCCC(=O)NC1=CC=CC2=C1C=CC(=C2O)S(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C28H43NO9S2/c1-2-3-4-5-8-11-15-22(38-40(35,36)37)16-12-9-6-7-10-13-19-27(30)29-25-18-14-17-24-23(25)20-21-26(28(24)31)39(32,33)34/h14,17-18,20-22,31H,2-13,15-16,19H2,1H3,(H,29,30)(H,32,33,34)(H,35,36,37)