5-dodecyl-3-methyl-2-sulfooxy-benzoic acid

Systemtic Name: 5-dodecyl-3-methyl-2-sulfooxy-benzoic acid Openeye Name: 5-dodecyl-3-methyl-2-sulfooxy-benzoic acid CAS Name: 5-dodecyl-3-methyl-2-sulfooxybenzoic acid IUPAC Name: 5-dodecyl-3-methyl-2-sulfooxybenzoic acid Traditional Name: 5-lauryl-3-methyl-2-sulfoxy-benzoic acid Formula: C20H32O6S MolecularWeight: 400.52948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C(=C1)C(=O)O)OS(=O)(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C(=C1)C(=O)O)OS(=O)(=O)O)C

InChI

InChI=1S/C20H32O6S/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-16(2)19(26-27(23,24)25)18(15-17)20(21)22/h14-15H,3-13H2,1-2H3,(H,21,22)(H,23,24,25)