16-(3-methylphenyl)sulfanylhexadeca-5,8,11,14-tetraynoic acid

Systemtic Name: 16-(3-methylphenyl)sulfanylhexadeca-5,8,11,14-tetraynoic acid Openeye Name: 16-(m-tolylsulfanyl)hexadeca-5,8,11,14-tetraynoic acid CAS Name: 16-[(3-methylphenyl)thio]hexadeca-5,8,11,14-tetraynoic acid IUPAC Name: 16-(3-methylphenyl)sulfanylhexadeca-5,8,11,14-tetraynoic acid Traditional Name: 16-(m-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=C1)SCC#CCC#CCC#CCC#CCCCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)SCC#CCC#CCC#CCC#CCCCC(=O)O

InChI

InChI=1S/C23H22O2S/c1-21-16-15-17-22(20-21)26-19-14-12-10-8-6-4-2-3-5-7-9-11-13-18-23(24)25/h15-17,20H,4-5,10-11,13,18-19H2,1H3,(H,24,25)