2-(2-butan-2-yl-3-sulfo-phenyl)ethanoic acid

Systemtic Name: 2-(2-butan-2-yl-3-sulfo-phenyl)ethanoic acid Openeye Name: 2-(2-sec-butyl-3-sulfo-phenyl)acetic acid CAS Name: 2-(2-butan-2-yl-3-sulfophenyl)acetic acid IUPAC Name: 2-(2-butan-2-yl-3-sulfophenyl)acetic acid Traditional Name: 2-(2-sec-butyl-3-sulfo-phenyl)acetic acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC=C1S(=O)(=O)O)CC(=O)O

Isomeric SMILES

CCC(C)C1=C(C=CC=C1S(=O)(=O)O)CC(=O)O

InChI

InChI=1S/C12H16O5S/c1-3-8(2)12-9(7-11(13)14)5-4-6-10(12)18(15,16)17/h4-6,8H,3,7H2,1-2H3,(H,13,14)(H,15,16,17)