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

Systemtic Name: [3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)carbonylamino]-7-methoxy-8-methyl-2-oxidanylidene-chromen-4-yl] 4-methylbenzenesulfonate Openeye Name: [3-[(2,2-dimethylchromane-6-carbonyl)amino]-7-methoxy-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-methoxy-8-methyl-2-oxo-1-benzopyran-4-yl] ester IUPAC Name: [3-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-7-methoxy-8-methyl-2-oxochromen-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(2,2-dimethylchroman-6-carbonyl)amino]-2-keto-7-methoxy-8-methyl-chromen-4-yl] ester Formula: C30H29NO8S MolecularWeight: 563.61816

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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)OC)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)OC)NC(=O)C4=CC5=C(C=C4)OC(CC5)(C)C

InChI

InChI=1S/C30H29NO8S/c1-17-6-9-21(10-7-17)40(34,35)39-27-22-11-13-23(36-5)18(2)26(22)37-29(33)25(27)31-28(32)20-8-12-24-19(16-20)14-15-30(3,4)38-24/h6-13,16H,14-15H2,1-5H3,(H,31,32)