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

Systemtic Name: [3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)carbonylamino]-8-methyl-2-oxidanyl-4-oxidanylidene-chromen-7-yl] 4-methylbenzenesulfonate Openeye Name: [3-[(2,2-dimethylchromane-6-carbonyl)amino]-2-hydroxy-8-methyl-4-oxo-chromen-7-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-oxomethyl]amino]-2-hydroxy-8-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-hydroxy-8-methyl-4-oxochromen-7-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(2,2-dimethylchroman-6-carbonyl)amino]-2-hydroxy-4-keto-8-methyl-chromen-7-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(C3=C(C=C2)C(=O)C(=C(O3)O)NC(=O)C4=CC5=C(C=C4)OC(CC5)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C=C2)C(=O)C(=C(O3)O)NC(=O)C4=CC5=C(C=C4)OC(CC5)(C)C)C

InChI

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