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

Systemtic Name: 2,2-bis(2,6-diphenylthian-4-yl)decanedioate Openeye Name: 2,2-bis(2,6-diphenyltetrahydrothiopyran-4-yl)decanedioate CAS Name: 2,2-bis(2,6-diphenyl-4-thianyl)decanedioate IUPAC Name: 2,2-bis(2,6-diphenylthian-4-yl)decanedioate Traditional Name: 2,2-bis(2,6-diphenyltetrahydrothiopyran-4-yl)sebacate Formula: C44H48O4S2-2 MolecularWeight: 704.97952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H50O4S2/c45-42(46)26-16-2-1-3-17-27-44(43(47)48,36-28-38(32-18-8-4-9-19-32)49-39(29-36)33-20-10-5-11-21-33)37-30-40(34-22-12-6-13-23-34)50-41(31-37)35-24-14-7-15-25-35/h4-15,18-25,36-41H,1-3,16-17,26-31H2,(H,45,46)(H,47,48)/p-2