[3-[[4-(4-methylphenyl)sulfonyloxy-2-oxidanylidene-chromen-3-yl]methyl]-7-(oxan-2-yloxy)-2-oxidanylidene-chromen-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-[[4-(4-methylphenyl)sulfonyloxy-2-oxidanylidene-chromen-3-yl]methyl]-7-(oxan-2-yloxy)-2-oxidanylidene-chromen-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-oxo-3-[[2-oxo-4-(p-tolylsulfonyloxy)chromen-3-yl]methyl]-7-tetrahydropyran-2-yloxy-chromen-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[[4-(4-methylphenyl)sulfonyloxy-2-oxo-1-benzopyran-3-yl]methyl]-7-(2-oxanyloxy)-2-oxo-1-benzopyran-4-yl] ester IUPAC Name: [3-[[4-(4-methylphenyl)sulfonyloxy-2-oxochromen-3-yl]methyl]-7-(oxan-2-yloxy)-2-oxochromen-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-3-[(2-keto-4-tosyloxy-chromen-3-yl)methyl]-7-tetrahydropyran-2-yloxy-chromen-4-yl] ester Formula: C38H32O12S2 MolecularWeight: 744.78348

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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(=C3)OC4CCCCO4)CC5=C(C6=CC=CC=C6OC5=O)OS(=O)(=O)C7=CC=C(C=C7)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC3=C2C=CC(=C3)OC4CCCCO4)CC5=C(C6=CC=CC=C6OC5=O)OS(=O)(=O)C7=CC=C(C=C7)C

InChI

InChI=1S/C38H32O12S2/c1-23-10-15-26(16-11-23)51(41,42)49-35-28-7-3-4-8-32(28)47-37(39)30(35)22-31-36(50-52(43,44)27-17-12-24(2)13-18-27)29-19-14-25(21-33(29)48-38(31)40)46-34-9-5-6-20-45-34/h3-4,7-8,10-19,21,34H,5-6,9,20,22H2,1-2H3