2-[2-carboxy-6-(phenylmethyl)phenoxy]sulfanyloxy-3-(phenylmethyl)benzoic acid

Systemtic Name: 2-[2-carboxy-6-(phenylmethyl)phenoxy]sulfanyloxy-3-(phenylmethyl)benzoic acid Openeye Name: 3-benzyl-2-(2-benzyl-6-carboxy-phenoxy)sulfanyloxy-benzoic acid CAS Name: 2-[[2-carboxy-6-(phenylmethyl)phenoxy]thio]oxy-3-(phenylmethyl)benzoic acid IUPAC Name: 3-benzyl-2-(2-benzyl-6-carboxyphenoxy)sulfanyloxybenzoic acid Traditional Name: 3-benzyl-2-[(2-benzyl-6-carboxy-phenoxy)thio]oxy-benzoic acid Formula: C28H22O6S MolecularWeight: 486.53568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC(=C2OSOC3=C(C=CC=C3CC4=CC=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC(=C2OSOC3=C(C=CC=C3CC4=CC=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C28H22O6S/c29-27(30)23-15-7-13-21(17-19-9-3-1-4-10-19)25(23)33-35-34-26-22(14-8-16-24(26)28(31)32)18-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,29,30)(H,31,32)