2,2-bis(2,6-diphenylthian-4-yl)propanedioate

Systemtic Name: 2,2-bis(2,6-diphenylthian-4-yl)propanedioate Openeye Name: 2,2-bis(2,6-diphenyltetrahydrothiopyran-4-yl)propanedioate CAS Name: 2,2-bis(2,6-diphenyl-4-thianyl)propanedioate IUPAC Name: 2,2-bis(2,6-diphenylthian-4-yl)propanedioate Traditional Name: 2,2-bis(2,6-diphenyltetrahydrothiopyran-4-yl)malonate Formula: C37H34O4S2-2 MolecularWeight: 606.79346

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(SC1C2=CC=CC=C2)C3=CC=CC=C3)C(C4CC(SC(C4)C5=CC=CC=C5)C6=CC=CC=C6)(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C(CC(SC1C2=CC=CC=C2)C3=CC=CC=C3)C(C4CC(SC(C4)C5=CC=CC=C5)C6=CC=CC=C6)(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C37H36O4S2/c38-35(39)37(36(40)41,29-21-31(25-13-5-1-6-14-25)42-32(22-29)26-15-7-2-8-16-26)30-23-33(27-17-9-3-10-18-27)43-34(24-30)28-19-11-4-12-20-28/h1-20,29-34H,21-24H2,(H,38,39)(H,40,41)/p-2