(E)-9-sulfooctadec-2-enoic acid

Systemtic Name: (E)-9-sulfooctadec-2-enoic acid Openeye Name: (E)-9-sulfooctadec-2-enoic acid CAS Name: (E)-9-sulfo-2-octadecenoic acid IUPAC Name: (E)-9-sulfooctadec-2-enoic acid Traditional Name: (E)-9-sulfooctadec-2-enoic acid Formula: C18H34O5S MolecularWeight: 362.52456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCC=CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCC/C=C/C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H34O5S/c1-2-3-4-5-6-8-11-14-17(24(21,22)23)15-12-9-7-10-13-16-18(19)20/h13,16-17H,2-12,14-15H2,1H3,(H,19,20)(H,21,22,23)/b16-13+