2,2-bis(2,6-diphenylthian-4-yl)hexanedioic acid

Systemtic Name: 2,2-bis(2,6-diphenylthian-4-yl)hexanedioic acid Openeye Name: 2,2-bis(2,6-diphenyltetrahydrothiopyran-4-yl)hexanedioic acid CAS Name: 2,2-bis(2,6-diphenyl-4-thianyl)hexanedioic acid IUPAC Name: 2,2-bis(2,6-diphenylthian-4-yl)hexanedioic acid Traditional Name: 2,2-bis(2,6-diphenyltetrahydrothiopyran-4-yl)adipic acid Formula: C40H42O4S2 MolecularWeight: 650.88908

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(SC1C2=CC=CC=C2)C3=CC=CC=C3)C(CCCC(=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(CCCC(=O)O)(C4CC(SC(C4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C40H42O4S2/c41-38(42)22-13-23-40(39(43)44,32-24-34(28-14-5-1-6-15-28)45-35(25-32)29-16-7-2-8-17-29)33-26-36(30-18-9-3-10-19-30)46-37(27-33)31-20-11-4-12-21-31/h1-12,14-21,32-37H,13,22-27H2,(H,41,42)(H,43,44)