S-(4-pentylphenyl) 4-(4-propylcyclohexyl)benzenecarbothioate

Systemtic Name: S-(4-pentylphenyl) 4-(4-propylcyclohexyl)benzenecarbothioate Openeye Name: S-(4-pentylphenyl) 4-(4-propylcyclohexyl)benzenecarbothioate CAS Name: 4-(4-propylcyclohexyl)benzenecarbothioic acid S-(4-pentylphenyl) ester IUPAC Name: S-(4-pentylphenyl) 4-(4-propylcyclohexyl)benzenecarbothioate Traditional Name: 4-(4-propylcyclohexyl)thiobenzoic acid S-(4-amylphenyl) ester Formula: C27H36OS MolecularWeight: 408.63914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC

InChI

InChI=1S/C27H36OS/c1-3-5-6-8-22-11-19-26(20-12-22)29-27(28)25-17-15-24(16-18-25)23-13-9-21(7-4-2)10-14-23/h11-12,15-21,23H,3-10,13-14H2,1-2H3