5-(2,2-dimethylpropyl)-5-(2-sulfanylphenyl)undecanedioic acid

Systemtic Name: 5-(2,2-dimethylpropyl)-5-(2-sulfanylphenyl)undecanedioic acid Openeye Name: 5-(2,2-dimethylpropyl)-5-(2-sulfanylphenyl)undecanedioic acid CAS Name: 5-(2,2-dimethylpropyl)-5-(2-mercaptophenyl)undecanedioic acid IUPAC Name: 5-(2,2-dimethylpropyl)-5-(2-sulfanylphenyl)undecanedioic acid Traditional Name: 5-(2-mercaptophenyl)-5-neopentyl-undecanedioic acid Formula: C22H34O4S MolecularWeight: 394.56796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(CCCCCC(=O)O)(CCCC(=O)O)C1=CC=CC=C1S

Isomeric SMILES

CC(C)(C)CC(CCCCCC(=O)O)(CCCC(=O)O)C1=CC=CC=C1S

InChI

InChI=1S/C22H34O4S/c1-21(2,3)16-22(15-9-13-20(25)26,14-8-4-5-12-19(23)24)17-10-6-7-11-18(17)27/h6-7,10-11,27H,4-5,8-9,12-16H2,1-3H3,(H,23,24)(H,25,26)