4-(3,4,5-trimethoxyphenyl)butane-1-sulfonic acid

Systemtic Name: 4-(3,4,5-trimethoxyphenyl)butane-1-sulfonic acid Openeye Name: 4-(3,4,5-trimethoxyphenyl)butane-1-sulfonic acid CAS Name: 4-(3,4,5-trimethoxyphenyl)-1-butanesulfonic acid IUPAC Name: 4-(3,4,5-trimethoxyphenyl)butane-1-sulfonic acid Traditional Name: 4-(3,4,5-trimethoxyphenyl)butane-1-sulfonic acid Formula: C13H20O6S MolecularWeight: 304.3593

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCCCS(=O)(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCCCS(=O)(=O)O

InChI

InChI=1S/C13H20O6S/c1-17-11-8-10(6-4-5-7-20(14,15)16)9-12(18-2)13(11)19-3/h8-9H,4-7H2,1-3H3,(H,14,15,16)