16-(2-methylphenyl)sulfanylhexadeca-5,8,11,14-tetraynoic acid

Systemtic Name: 16-(2-methylphenyl)sulfanylhexadeca-5,8,11,14-tetraynoic acid Openeye Name: 16-(o-tolylsulfanyl)hexadeca-5,8,11,14-tetraynoic acid CAS Name: 16-[(2-methylphenyl)thio]hexadeca-5,8,11,14-tetraynoic acid IUPAC Name: 16-(2-methylphenyl)sulfanylhexadeca-5,8,11,14-tetraynoic acid Traditional Name: 16-(o-tolylthio)hexadeca-5,8,11,14-tetraynoic acid Formula: C23H22O2S MolecularWeight: 362.48458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC#CCC#CCC#CCC#CCCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC#CCC#CCC#CCC#CCCCC(=O)O

InChI

InChI=1S/C23H22O2S/c1-21-17-14-15-18-22(21)26-20-16-12-10-8-6-4-2-3-5-7-9-11-13-19-23(24)25/h14-15,17-18H,4-5,10-11,13,19-20H2,1H3,(H,24,25)