(3-methyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 4-chloranylbenzenesulfonate

Systemtic Name: (3-methyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 4-chloranylbenzenesulfonate Openeye Name: (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl) ester IUPAC Name: (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (6-keto-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) ester Formula: C20H17ClO5S MolecularWeight: 404.86398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClO5S/c1-12-10-17-19(15-4-2-3-5-16(15)20(22)25-17)18(11-12)26-27(23,24)14-8-6-13(21)7-9-14/h6-11H,2-5H2,1H3