(E)-2-(carboxymethylsulfanyl)hexadec-3-enoic acid

Systemtic Name: (E)-2-(carboxymethylsulfanyl)hexadec-3-enoic acid Openeye Name: (E)-2-(carboxymethylsulfanyl)hexadec-3-enoic acid CAS Name: (E)-2-(carboxymethylthio)-3-hexadecenoic acid IUPAC Name: (E)-2-(carboxymethylsulfanyl)hexadec-3-enoic acid Traditional Name: (E)-2-(carboxymethylthio)hexadec-3-enoic acid Formula: C18H32O4S MolecularWeight: 344.50928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(=O)O)SCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H32O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18(21)22)23-15-17(19)20/h13-14,16H,2-12,15H2,1H3,(H,19,20)(H,21,22)/b14-13+