4-(2,3,4-trimethoxyphenyl)butane-1-sulfonic acid

Systemtic Name: 4-(2,3,4-trimethoxyphenyl)butane-1-sulfonic acid Openeye Name: 4-(2,3,4-trimethoxyphenyl)butane-1-sulfonic acid CAS Name: 4-(2,3,4-trimethoxyphenyl)-1-butanesulfonic acid IUPAC Name: 4-(2,3,4-trimethoxyphenyl)butane-1-sulfonic acid Traditional Name: 4-(2,3,4-trimethoxyphenyl)butane-1-sulfonic acid Formula: C13H20O6S MolecularWeight: 304.3593

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CCCCS(=O)(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CCCCS(=O)(=O)O)OC)OC

InChI

InChI=1S/C13H20O6S/c1-17-11-8-7-10(12(18-2)13(11)19-3)6-4-5-9-20(14,15)16/h7-8H,4-6,9H2,1-3H3,(H,14,15,16)