butane-2-sulfonate; 3,3-dimethyl-2H-1-benzofuran

Systemtic Name: butane-2-sulfonate; 3,3-dimethyl-2H-1-benzofuran Openeye Name: butane-2-sulfonate; 3,3-dimethyl-2H-benzofuran CAS Name: 2-butanesulfonate; 3,3-dimethyl-2H-benzofuran IUPAC Name: butane-2-sulfonate; 3,3-dimethyl-2H-1-benzofuran Traditional Name: butane-2-sulfonate; 3,3-dimethylcoumaran Formula: C14H21O4S- MolecularWeight: 285.37914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)[O-].CC1(COC2=CC=CC=C21)C

Isomeric SMILES

CCC(C)S(=O)(=O)[O-].CC1(COC2=CC=CC=C21)C

InChI

InChI=1S/C10H12O.C4H10O3S/c1-10(2)7-11-9-6-4-3-5-8(9)10;1-3-4(2)8(5,6)7/h3-6H,7H2,1-2H3;4H,3H2,1-2H3,(H,5,6,7)/p-1