(4,7-dimethyl-2-oxidanylidene-chromen-6-yl) naphthalene-1-sulfonate

Systemtic Name: (4,7-dimethyl-2-oxidanylidene-chromen-6-yl) naphthalene-1-sulfonate Openeye Name: (4,7-dimethyl-2-oxo-chromen-6-yl) naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid (4,7-dimethyl-2-oxo-1-benzopyran-6-yl) ester IUPAC Name: (4,7-dimethyl-2-oxochromen-6-yl) naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid (2-keto-4,7-dimethyl-chromen-6-yl) ester Formula: C21H16O5S MolecularWeight: 380.41374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)OS(=O)(=O)C3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)OS(=O)(=O)C3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C21H16O5S/c1-13-11-21(22)25-19-10-14(2)18(12-17(13)19)26-27(23,24)20-9-5-7-15-6-3-4-8-16(15)20/h3-12H,1-2H3