sodium; 3,5-bis(methoxycarbonyl)benzenesulfonate; dimethyl benzene-1,4-dicarboxylate; ethane-1,2-diol

Systemtic Name: sodium; 3,5-bis(methoxycarbonyl)benzenesulfonate; dimethyl benzene-1,4-dicarboxylate; ethane-1,2-diol Openeye Name: sodium; 3,5-bis(methoxycarbonyl)benzenesulfonate; dimethyl benzene-1,4-dicarboxylate; ethylene glycol CAS Name: sodium; benzene-1,4-dicarboxylic acid dimethyl ester; 3,5-bis(methoxycarbonyl)benzenesulfonate; ethane-1,2-diol IUPAC Name: sodium; 3,5-bis(methoxycarbonyl)benzenesulfonate; dimethyl benzene-1,4-dicarboxylate; ethane-1,2-diol Traditional Name: sodium; benzene-1,4-dicarboxylic acid dimethyl ester; 3,5-dicarbomethoxybesylate; ethylene glycol Formula: C22H25NaO13S MolecularWeight: 552.48087

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)OC.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.C(CO)O.[Na+]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OC.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.C(CO)O.[Na+]

InChI

InChI=1S/C10H10O7S.C10H10O4.C2H6O2.Na/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;3-1-2-4;/h3-5H,1-2H3,(H,13,14,15);3-6H,1-2H3;3-4H,1-2H2;/q;;;+1/p-1