S-phenyl (E)-3-(1-oxidanylcyclododecyl)prop-2-enethioate

Systemtic Name: S-phenyl (E)-3-(1-oxidanylcyclododecyl)prop-2-enethioate Openeye Name: S-phenyl (E)-3-(1-hydroxycyclododecyl)prop-2-enethioate CAS Name: (E)-3-(1-hydroxycyclododecyl)-2-propenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E)-3-(1-hydroxycyclododecyl)prop-2-enethioate Traditional Name: (E)-3-(1-hydroxycyclododecyl)prop-2-enethioic acid S-phenyl ester Formula: C21H30O2S MolecularWeight: 346.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)(C=CC(=O)SC2=CC=CC=C2)O

Isomeric SMILES

C1CCCCCC(CCCCC1)(/C=C/C(=O)SC2=CC=CC=C2)O

InChI

InChI=1S/C21H30O2S/c22-20(24-19-13-9-8-10-14-19)15-18-21(23)16-11-6-4-2-1-3-5-7-12-17-21/h8-10,13-15,18,23H,1-7,11-12,16-17H2/b18-15+