3-[3-oxidanyl-3-oxidanylidene-2-(triphenylmethyl)sulfanyl-propyl]indole-1-carboxylic acid

Systemtic Name: 3-[3-oxidanyl-3-oxidanylidene-2-(triphenylmethyl)sulfanyl-propyl]indole-1-carboxylic acid Openeye Name: 3-(3-hydroxy-3-oxo-2-tritylsulfanyl-propyl)indole-1-carboxylic acid CAS Name: 3-[3-hydroxy-3-oxo-2-[(triphenylmethyl)thio]propyl]-1-indolecarboxylic acid IUPAC Name: 3-(3-hydroxy-3-oxo-2-tritylsulfanylpropyl)indole-1-carboxylic acid Traditional Name: 3-[3-hydroxy-3-keto-2-(tritylthio)propyl]indole-1-carboxylic acid Formula: C31H25NO4S MolecularWeight: 507.5995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC(CC4=CN(C5=CC=CC=C54)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC(CC4=CN(C5=CC=CC=C54)C(=O)O)C(=O)O

InChI

InChI=1S/C31H25NO4S/c33-29(34)28(20-22-21-32(30(35)36)27-19-11-10-18-26(22)27)37-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-19,21,28H,20H2,(H,33,34)(H,35,36)