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3-[2-carboxy-5-(triphenylmethyl)sulfanyl-pentyl]benzoic acid

3-[2-carboxy-5-(triphenylmethyl)sulfanyl-pentyl]benzoic acid

Systemtic Name:3-[2-carboxy-5-(triphenylmethyl)sulfanyl-pentyl]benzoic acid
Openeye Name:3-(2-carboxy-5-tritylsulfanyl-pentyl)benzoic acid
CAS Name:3-[2-carboxy-5-[(triphenylmethyl)thio]pentyl]benzoic acid
IUPAC Name:3-(2-carboxy-5-tritylsulfanylpentyl)benzoic acid
Traditional Name:3-[2-carboxy-5-(tritylthio)pentyl]benzoic acid
Formula: C32H30O4S
MolecularWeight: 510.6432
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCCC(CC4=CC=CC(=C4)C(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCCC(CC4=CC=CC(=C4)C(=O)O)C(=O)O


InChI

InChI=1S/C32H30O4S/c33-30(34)25-13-10-12-24(22-25)23-26(31(35)36)14-11-21-37-32(27-15-4-1-5-16-27,28-17-6-2-7-18-28)29-19-8-3-9-20-29/h1-10,12-13,15-20,22,26H,11,14,21,23H2,(H,33,34)(H,35,36)


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