O-[4-(4-oxidanylidenecyclohexyl)phenyl] 4-(4-propylcyclohexyl)benzenecarbothioate

Systemtic Name: O-[4-(4-oxidanylidenecyclohexyl)phenyl] 4-(4-propylcyclohexyl)benzenecarbothioate Openeye Name: O-[4-(4-oxocyclohexyl)phenyl] 4-(4-propylcyclohexyl)benzenecarbothioate CAS Name: 4-(4-propylcyclohexyl)benzenecarbothioic acid O-[4-(4-oxocyclohexyl)phenyl] ester IUPAC Name: O-[4-(4-oxocyclohexyl)phenyl] 4-(4-propylcyclohexyl)benzenecarbothioate Traditional Name: 4-(4-propylcyclohexyl)thiobenzoic acid O-[4-(4-ketocyclohexyl)phenyl] ester Formula: C28H34O2S MolecularWeight: 434.63336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CC=C(C=C2)C(=S)OC3=CC=C(C=C3)C4CCC(=O)CC4

Isomeric SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)C(=S)OC3=CC=C(C=C3)C4CCC(=O)CC4

InChI

InChI=1S/C28H34O2S/c1-2-3-20-4-6-21(7-5-20)22-8-10-25(11-9-22)28(31)30-27-18-14-24(15-19-27)23-12-16-26(29)17-13-23/h8-11,14-15,18-21,23H,2-7,12-13,16-17H2,1H3