2-[(4-carboxyphenyl)methyl]-2-[3-(triphenylmethyl)sulfanylpropyl]propanedioic acid

Systemtic Name: 2-[(4-carboxyphenyl)methyl]-2-[3-(triphenylmethyl)sulfanylpropyl]propanedioic acid Openeye Name: 2-[(4-carboxyphenyl)methyl]-2-(3-tritylsulfanylpropyl)propanedioic acid CAS Name: 2-[(4-carboxyphenyl)methyl]-2-[3-[(triphenylmethyl)thio]propyl]propanedioic acid IUPAC Name: 2-[(4-carboxyphenyl)methyl]-2-(3-tritylsulfanylpropyl)propanedioic acid Traditional Name: 2-(4-carboxybenzyl)-2-[3-(tritylthio)propyl]malonic acid Formula: C33H30O6S MolecularWeight: 554.6527

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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=C(C=C4)C(=O)O)(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=C(C=C4)C(=O)O)(C(=O)O)C(=O)O

InChI

InChI=1S/C33H30O6S/c34-29(35)25-19-17-24(18-20-25)23-32(30(36)37,31(38)39)21-10-22-40-33(26-11-4-1-5-12-26,27-13-6-2-7-14-27)28-15-8-3-9-16-28/h1-9,11-20H,10,21-23H2,(H,34,35)(H,36,37)(H,38,39)