sodium 4-[3,5-bis(methoxycarbonyl)phenoxy]benzenesulfonic acid

Systemtic Name: sodium 4-[3,5-bis(methoxycarbonyl)phenoxy]benzenesulfonic acid Openeye Name: sodium 4-[3,5-bis(methoxycarbonyl)phenoxy]benzenesulfonic acid CAS Name: sodium 4-[3,5-bis(methoxycarbonyl)phenoxy]benzenesulfonic acid IUPAC Name: sodium 4-[3,5-bis(methoxycarbonyl)phenoxy]benzenesulfonic acid Traditional Name: sodium 4-(3,5-dicarbomethoxyphenoxy)besylic acid Formula: C16H14NaO8S+ MolecularWeight: 389.33233

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)O)C(=O)OC.[Na+]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)O)C(=O)OC.[Na+]

InChI

InChI=1S/C16H14O8S.Na/c1-22-15(17)10-7-11(16(18)23-2)9-13(8-10)24-12-3-5-14(6-4-12)25(19,20)21;/h3-9H,1-2H3,(H,19,20,21);/q;+1