(E)-5-(carboxymethylsulfanyl)nonadec-6-enoic acid

Systemtic Name: (E)-5-(carboxymethylsulfanyl)nonadec-6-enoic acid Openeye Name: (E)-5-(carboxymethylsulfanyl)nonadec-6-enoic acid CAS Name: (E)-5-(carboxymethylthio)-6-nonadecenoic acid IUPAC Name: (E)-5-(carboxymethylsulfanyl)nonadec-6-enoic acid Traditional Name: (E)-5-(carboxymethylthio)nonadec-6-enoic acid Formula: C21H38O4S MolecularWeight: 386.58902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(CCCC(=O)O)SCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19(26-18-21(24)25)16-14-17-20(22)23/h13,15,19H,2-12,14,16-18H2,1H3,(H,22,23)(H,24,25)/b15-13+