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

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

Systemtic Name:2,2-bis(2,6-diphenylthian-4-yl)butanedioic acid
Openeye Name:2,2-bis(2,6-diphenyltetrahydrothiopyran-4-yl)butanedioic acid
CAS Name:2,2-bis(2,6-diphenyl-4-thianyl)butanedioic acid
IUPAC Name:2,2-bis(2,6-diphenylthian-4-yl)butanedioic acid
Traditional Name:2,2-bis(2,6-diphenyltetrahydrothiopyran-4-yl)succinic acid
Formula: C38H38O4S2
MolecularWeight: 622.83592
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Descriptors Computed from Structure

Canonical SMILES:

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


InChI

InChI=1S/C38H38O4S2/c39-36(40)25-38(37(41)42,30-21-32(26-13-5-1-6-14-26)43-33(22-30)27-15-7-2-8-16-27)31-23-34(28-17-9-3-10-18-28)44-35(24-31)29-19-11-4-12-20-29/h1-20,30-35H,21-25H2,(H,39,40)(H,41,42)


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