2-methylpropane; 2-(2-sulfophenyl)ethanoic acid

Systemtic Name: 2-methylpropane; 2-(2-sulfophenyl)ethanoic acid Openeye Name: isobutane; 2-(2-sulfophenyl)acetic acid CAS Name: 2-methylpropane; 2-(2-sulfophenyl)acetic acid IUPAC Name: 2-methylpropane; 2-(2-sulfophenyl)acetic acid Traditional Name: isobutane; 2-(2-sulfophenyl)acetic acid Formula: C12H18O5S MolecularWeight: 274.33332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C.C1=CC=C(C(=C1)CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)C.C1=CC=C(C(=C1)CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C8H8O5S.C4H10/c9-8(10)5-6-3-1-2-4-7(6)14(11,12)13;1-4(2)3/h1-4H,5H2,(H,9,10)(H,11,12,13);4H,1-3H3