sodium 1,4-bis(oxidanylidene)-1,4-bis(phenylmethoxy)butane-2-sulfonic acid

Systemtic Name: sodium 1,4-bis(oxidanylidene)-1,4-bis(phenylmethoxy)butane-2-sulfonic acid Openeye Name: sodium 1,4-dibenzyloxy-1,4-dioxo-butane-2-sulfonic acid CAS Name: sodium 1,4-dioxo-1,4-bis(phenylmethoxy)-2-butanesulfonic acid IUPAC Name: sodium 1,4-dioxo-1,4-bis(phenylmethoxy)butane-2-sulfonic acid Traditional Name: sodium 1,4-dibenzoxy-1,4-diketo-butane-2-sulfonic acid Formula: C18H18NaO7S+ MolecularWeight: 401.38609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H18O7S.Na/c19-17(24-12-14-7-3-1-4-8-14)11-16(26(21,22)23)18(20)25-13-15-9-5-2-6-10-15;/h1-10,16H,11-13H2,(H,21,22,23);/q;+1