3-methyl-4-thiophen-3-yl-butane-1-sulfonic acid

Systemtic Name: 3-methyl-4-thiophen-3-yl-butane-1-sulfonic acid Openeye Name: 3-methyl-4-(3-thienyl)butane-1-sulfonic acid CAS Name: 3-methyl-4-(3-thiophenyl)-1-butanesulfonic acid IUPAC Name: 3-methyl-4-thiophen-3-ylbutane-1-sulfonic acid Traditional Name: 3-methyl-4-(3-thienyl)butane-1-sulfonic acid Formula: C9H14O3S2 MolecularWeight: 234.33566

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)O)CC1=CSC=C1

Isomeric SMILES

CC(CCS(=O)(=O)O)CC1=CSC=C1

InChI

InChI=1S/C9H14O3S2/c1-8(3-5-14(10,11)12)6-9-2-4-13-7-9/h2,4,7-8H,3,5-6H2,1H3,(H,10,11,12)