4-(4-methoxycarbonylphenyl)-1-oxidanyl-butane-1-sulfonic acid

Systemtic Name: 4-(4-methoxycarbonylphenyl)-1-oxidanyl-butane-1-sulfonic acid Openeye Name: 1-hydroxy-4-(4-methoxycarbonylphenyl)butane-1-sulfonic acid CAS Name: 1-hydroxy-4-(4-methoxycarbonylphenyl)-1-butanesulfonic acid IUPAC Name: 1-hydroxy-4-(4-methoxycarbonylphenyl)butane-1-sulfonic acid Traditional Name: 4-(4-carbomethoxyphenyl)-1-hydroxy-butane-1-sulfonic acid Formula: C12H16O6S MolecularWeight: 288.31684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCC(O)S(=O)(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCC(O)S(=O)(=O)O

InChI

InChI=1S/C12H16O6S/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)