[2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxochromen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-tert-butylphenyl)-4-keto-6,7-dimethyl-chromen-3-yl] ester Formula: C28H28O5S MolecularWeight: 476.58392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=CC(=C(C=C3C2=O)C)C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=CC(=C(C=C3C2=O)C)C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H28O5S/c1-17-7-13-22(14-8-17)34(30,31)33-27-25(29)23-15-18(2)19(3)16-24(23)32-26(27)20-9-11-21(12-10-20)28(4,5)6/h7-16H,1-6H3