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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O6S.Na/c1-18-12(14)10-7-5-9(6-8-10)3-2-4-11(13)19(15,16)17;/h5-8,11,13H,2-4H2,1H3,(H,15,16,17);/q;+1/p-1