(E)-6-ethylsulfanyl-5-oxidanyl-nonadec-7-enoic acid

Systemtic Name: (E)-6-ethylsulfanyl-5-oxidanyl-nonadec-7-enoic acid Openeye Name: (E)-6-ethylsulfanyl-5-hydroxy-nonadec-7-enoic acid CAS Name: (E)-6-(ethylthio)-5-hydroxy-7-nonadecenoic acid IUPAC Name: (E)-6-ethylsulfanyl-5-hydroxynonadec-7-enoic acid Traditional Name: (E)-6-(ethylthio)-5-hydroxy-nonadec-7-enoic acid Formula: C21H40O3S MolecularWeight: 372.6055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC(C(CCCC(=O)O)O)SCC

Isomeric SMILES

CCCCCCCCCCC/C=C/C(C(CCCC(=O)O)O)SCC

InChI

InChI=1S/C21H40O3S/c1-3-5-6-7-8-9-10-11-12-13-14-17-20(25-4-2)19(22)16-15-18-21(23)24/h14,17,19-20,22H,3-13,15-16,18H2,1-2H3,(H,23,24)/b17-14+