2,3-bis(phenylmethoxy)-5-sulfo-benzoic acid

Systemtic Name: 2,3-bis(phenylmethoxy)-5-sulfo-benzoic acid Openeye Name: 2,3-dibenzyloxy-5-sulfo-benzoic acid CAS Name: 2,3-bis(phenylmethoxy)-5-sulfobenzoic acid IUPAC Name: 2,3-bis(phenylmethoxy)-5-sulfobenzoic acid Traditional Name: 2,3-dibenzoxy-5-sulfo-benzoic acid Formula: C21H18O7S MolecularWeight: 414.42842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C(=CC(=C2)S(=O)(=O)O)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C(=CC(=C2)S(=O)(=O)O)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18O7S/c22-21(23)18-11-17(29(24,25)26)12-19(27-13-15-7-3-1-4-8-15)20(18)28-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,22,23)(H,24,25,26)