3,5-bis[(triphenylmethyl)sulfanyl]benzoic acid

Systemtic Name: 3,5-bis[(triphenylmethyl)sulfanyl]benzoic acid Openeye Name: 3,5-bis(tritylsulfanyl)benzoic acid CAS Name: 3,5-bis[(triphenylmethyl)thio]benzoic acid IUPAC Name: 3,5-bis(tritylsulfanyl)benzoic acid Traditional Name: 3,5-bis(tritylthio)benzoic acid Formula: C45H34O2S2 MolecularWeight: 670.88026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC4=CC(=CC(=C4)C(=O)O)SC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC4=CC(=CC(=C4)C(=O)O)SC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C45H34O2S2/c46-43(47)34-31-41(48-44(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37)33-42(32-34)49-45(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-33H,(H,46,47)