(4S,6S,9E,13S)-4-(benzenecarbonothioyl)-9,13-dimethyl-6-propan-2-yl-cyclotetradec-9-ene-1,5-dione

Systemtic Name: (4S,6S,9E,13S)-4-(benzenecarbonothioyl)-9,13-dimethyl-6-propan-2-yl-cyclotetradec-9-ene-1,5-dione Openeye Name: (4S,6S,9E,13S)-4-(benzenecarbonothioyl)-6-isopropyl-9,13-dimethyl-cyclotetradec-9-ene-1,5-dione CAS Name: (4S,6S,9E,13S)-4-(benzenecarbonothioyl)-9,13-dimethyl-6-propan-2-ylcyclotetradec-9-ene-1,5-dione IUPAC Name: (4S,6S,9E,13S)-4-(benzenecarbonothioyl)-9,13-dimethyl-6-propan-2-ylcyclotetradec-9-ene-1,5-dione Traditional Name: (4S,6S,9E,13S)-4-(benzenecarbonothioyl)-6-isopropyl-9,13-dimethyl-cyclotetradec-9-ene-1,5-quinone Formula: C26H36O2S MolecularWeight: 412.62784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC=C(CCC(C(=O)C(CCC(=O)C1)C(=S)C2=CC=CC=C2)C(C)C)C

Isomeric SMILES

C[C@H]1CC/C=C(/CC[C@H](C(=O)[C@H](CCC(=O)C1)C(=S)C2=CC=CC=C2)C(C)C)\C

InChI

InChI=1S/C26H36O2S/c1-18(2)23-15-13-19(3)9-8-10-20(4)17-22(27)14-16-24(25(23)28)26(29)21-11-6-5-7-12-21/h5-7,9,11-12,18,20,23-24H,8,10,13-17H2,1-4H3/b19-9+/t20-,23-,24-/m0/s1