2-hexadecoxy-3-sulfo-benzoic acid

Systemtic Name: 2-hexadecoxy-3-sulfo-benzoic acid Openeye Name: 2-hexadecoxy-3-sulfo-benzoic acid CAS Name: 2-hexadecoxy-3-sulfobenzoic acid IUPAC Name: 2-hexadecoxy-3-sulfobenzoic acid Traditional Name: 2-cetyloxy-3-sulfo-benzoic acid Formula: C23H38O6S MolecularWeight: 442.60922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C23H38O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-29-22-20(23(24)25)17-16-18-21(22)30(26,27)28/h16-18H,2-15,19H2,1H3,(H,24,25)(H,26,27,28)