(3,4-dimethyl-2-oxidanylidene-chromen-7-yl) octane-1-sulfonate

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) octane-1-sulfonate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) octane-1-sulfonate Traditional Name: octane-1-sulfonic acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C19H26O5S MolecularWeight: 366.47174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C

InChI

InChI=1S/C19H26O5S/c1-4-5-6-7-8-9-12-25(21,22)24-16-10-11-17-14(2)15(3)19(20)23-18(17)13-16/h10-11,13H,4-9,12H2,1-3H3