[3-(2-chloroethyl)-7-methoxy-4-methyl-2-oxidanylidene-chromen-6-yl] ethanesulfonate

Systemtic Name: [3-(2-chloroethyl)-7-methoxy-4-methyl-2-oxidanylidene-chromen-6-yl] ethanesulfonate Openeye Name: [3-(2-chloroethyl)-7-methoxy-4-methyl-2-oxo-chromen-6-yl] ethanesulfonate CAS Name: ethanesulfonic acid [3-(2-chloroethyl)-7-methoxy-4-methyl-2-oxo-1-benzopyran-6-yl] ester IUPAC Name: [3-(2-chloroethyl)-7-methoxy-4-methyl-2-oxochromen-6-yl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-(2-chloroethyl)-2-keto-7-methoxy-4-methyl-chromen-6-yl] ester Formula: C15H17ClO6S MolecularWeight: 360.80988

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C2C(=C1)C(=C(C(=O)O2)CCCl)C)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C2C(=C1)C(=C(C(=O)O2)CCCl)C)OC

InChI

InChI=1S/C15H17ClO6S/c1-4-23(18,19)22-14-7-11-9(2)10(5-6-16)15(17)21-12(11)8-13(14)20-3/h7-8H,4-6H2,1-3H3