sodium 3-(4-methoxycarbonylphenyl)-1-oxidanyl-butane-1-sulfonate

Systemtic Name: sodium 3-(4-methoxycarbonylphenyl)-1-oxidanyl-butane-1-sulfonate Openeye Name: sodium 1-hydroxy-3-(4-methoxycarbonylphenyl)butane-1-sulfonate CAS Name: sodium 1-hydroxy-3-(4-methoxycarbonylphenyl)-1-butanesulfonate IUPAC Name: sodium 1-hydroxy-3-(4-methoxycarbonylphenyl)butane-1-sulfonate Traditional Name: sodium 3-(4-carbomethoxyphenyl)-1-hydroxy-butane-1-sulfonate Formula: C12H15NaO6S MolecularWeight: 310.29867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O6S.Na/c1-8(7-11(13)19(15,16)17)9-3-5-10(6-4-9)12(14)18-2;/h3-6,8,11,13H,7H2,1-2H3,(H,15,16,17);/q;+1/p-1