16-(4-methoxyphenyl)sulfanylhexadeca-5,8,11,14-tetraynoic acid

Systemtic Name: 16-(4-methoxyphenyl)sulfanylhexadeca-5,8,11,14-tetraynoic acid Openeye Name: 16-(4-methoxyphenyl)sulfanylhexadeca-5,8,11,14-tetraynoic acid CAS Name: 16-[(4-methoxyphenyl)thio]hexadeca-5,8,11,14-tetraynoic acid IUPAC Name: 16-(4-methoxyphenyl)sulfanylhexadeca-5,8,11,14-tetraynoic acid Traditional Name: 16-[(4-methoxyphenyl)thio]hexadeca-5,8,11,14-tetraynoic acid Formula: C23H22O3S MolecularWeight: 378.48398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC#CCC#CCC#CCC#CCCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SCC#CCC#CCC#CCC#CCCCC(=O)O

InChI

InChI=1S/C23H22O3S/c1-26-21-16-18-22(19-17-21)27-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-23(24)25/h16-19H,4-5,10-11,13,15,20H2,1H3,(H,24,25)