[3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)carbonylamino]-8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)carbonylamino]-8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl] 4-methylbenzenesulfonate Openeye Name: [3-[(2,2-dimethylchromane-6-carbonyl)amino]-7-hydroxy-8-methyl-2-oxo-chromen-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-oxomethyl]amino]-7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl] ester IUPAC Name: [3-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-7-hydroxy-8-methyl-2-oxochromen-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(2,2-dimethylchroman-6-carbonyl)amino]-7-hydroxy-2-keto-8-methyl-chromen-4-yl] ester Formula: C29H27NO8S MolecularWeight: 549.59158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC3=C2C=CC(=C3C)O)NC(=O)C4=CC5=C(C=C4)OC(CC5)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC3=C2C=CC(=C3C)O)NC(=O)C4=CC5=C(C=C4)OC(CC5)(C)C

InChI

InChI=1S/C29H27NO8S/c1-16-5-8-20(9-6-16)39(34,35)38-26-21-10-11-22(31)17(2)25(21)36-28(33)24(26)30-27(32)19-7-12-23-18(15-19)13-14-29(3,4)37-23/h5-12,15,31H,13-14H2,1-4H3,(H,30,32)