1-(triphenylmethyl)sulfanylhexane-1,3,3-tricarboxylic acid

Systemtic Name: 1-(triphenylmethyl)sulfanylhexane-1,3,3-tricarboxylic acid Openeye Name: 1-tritylsulfanylhexane-1,3,3-tricarboxylic acid CAS Name: 1-[(triphenylmethyl)thio]hexane-1,3,3-tricarboxylic acid IUPAC Name: 1-tritylsulfanylhexane-1,3,3-tricarboxylic acid Traditional Name: 1-(tritylthio)hexane-1,3,3-tricarboxylic acid Formula: C28H28O6S MolecularWeight: 492.58332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C(=O)O)SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)O)C(=O)O

Isomeric SMILES

CCCC(CC(C(=O)O)SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)O)C(=O)O

InChI

InChI=1S/C28H28O6S/c1-2-18-27(25(31)32,26(33)34)19-23(24(29)30)35-28(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,2,18-19H2,1H3,(H,29,30)(H,31,32)(H,33,34)