disodium 2-methoxy-3-[(2-methoxy-3-sulfonato-phenyl)methyl]benzenesulfonate

Systemtic Name: disodium 2-methoxy-3-[(2-methoxy-3-sulfonato-phenyl)methyl]benzenesulfonate Openeye Name: disodium 2-methoxy-3-[(2-methoxy-3-sulfonato-phenyl)methyl]benzenesulfonate CAS Name: disodium 2-methoxy-3-[(2-methoxy-3-sulfonatophenyl)methyl]benzenesulfonate IUPAC Name: disodium 2-methoxy-3-[(2-methoxy-3-sulfonatophenyl)methyl]benzenesulfonate Traditional Name: disodium 2-methoxy-3-(2-methoxy-3-sulfonato-benzyl)besylate Formula: C15H14Na2O8S2 MolecularWeight: 432.3764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1S(=O)(=O)[O-])CC2=C(C(=CC=C2)S(=O)(=O)[O-])OC.[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC=C1S(=O)(=O)[O-])CC2=C(C(=CC=C2)S(=O)(=O)[O-])OC.[Na+].[Na+]

InChI

InChI=1S/C15H16O8S2.2Na/c1-22-14-10(5-3-7-12(14)24(16,17)18)9-11-6-4-8-13(15(11)23-2)25(19,20)21;;/h3-8H,9H2,1-2H3,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2