(3,4-dimethyl-2-oxidanyl-naphthalen-1-yl) propane-1-sulfonate

Systemtic Name: (3,4-dimethyl-2-oxidanyl-naphthalen-1-yl) propane-1-sulfonate Openeye Name: (2-hydroxy-3,4-dimethyl-1-naphthyl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (2-hydroxy-3,4-dimethylnaphthalen-1-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (2-hydroxy-3,4-dimethyl-1-naphthyl) ester Formula: C15H18O4S MolecularWeight: 294.36602

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=C(C(=C(C2=CC=CC=C21)C)C)O

Isomeric SMILES

CCCS(=O)(=O)OC1=C(C(=C(C2=CC=CC=C21)C)C)O

InChI

InChI=1S/C15H18O4S/c1-4-9-20(17,18)19-15-13-8-6-5-7-12(13)10(2)11(3)14(15)16/h5-8,16H,4,9H2,1-3H3