[3-(4-hydroxyphenyl)-4-oxidanylidene-chromen-7-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-(4-hydroxyphenyl)-4-oxidanylidene-chromen-7-yl] 4-methylbenzenesulfonate Openeye Name: [3-(4-hydroxyphenyl)-4-oxo-chromen-7-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-hydroxyphenyl)-4-oxochromen-7-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(4-hydroxyphenyl)-4-keto-chromen-7-yl] ester Formula: C22H16O6S MolecularWeight: 408.42384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H16O6S/c1-14-2-9-18(10-3-14)29(25,26)28-17-8-11-19-21(12-17)27-13-20(22(19)24)15-4-6-16(23)7-5-15/h2-13,23H,1H3