(E)-2-butyl-12-oxidanyl-2-sulfo-octadec-9-enoic acid

Systemtic Name: (E)-2-butyl-12-oxidanyl-2-sulfo-octadec-9-enoic acid Openeye Name: (E)-2-butyl-12-hydroxy-2-sulfo-octadec-9-enoic acid CAS Name: (E)-2-butyl-12-hydroxy-2-sulfo-9-octadecenoic acid IUPAC Name: (E)-2-butyl-12-hydroxy-2-sulfooctadec-9-enoic acid Traditional Name: (E)-2-butyl-12-hydroxy-2-sulfo-octadec-9-enoic acid Formula: C22H42O6S MolecularWeight: 434.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCC(CCCC)(C(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCC(CCCC)(C(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C22H42O6S/c1-3-5-7-13-16-20(23)17-14-11-9-8-10-12-15-19-22(21(24)25,18-6-4-2)29(26,27)28/h11,14,20,23H,3-10,12-13,15-19H2,1-2H3,(H,24,25)(H,26,27,28)/b14-11+