[4-[(4-methylphenyl)sulfonyloxymethyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]dioxepin-8-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-[(4-methylphenyl)sulfonyloxymethyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]dioxepin-8-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-(p-tolylsulfonyloxymethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]dioxepin-8-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(4-methylphenyl)sulfonyloxymethyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]dioxepin-8-yl]methyl ester IUPAC Name: [4-[(4-methylphenyl)sulfonyloxymethyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]dioxepin-8-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(tosyloxymethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]dioxepin-8-yl]methyl ester Formula: C22H26O10S2 MolecularWeight: 514.56584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(OCO2)COS(=O)(=O)C4=CC=C(C=C4)C)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(OCO2)COS(=O)(=O)C4=CC=C(C=C4)C)OCO3

InChI

InChI=1S/C22H26O10S2/c1-15-3-7-17(8-4-15)33(23,24)31-11-19-21-22(30-14-29-21)20(28-13-27-19)12-32-34(25,26)18-9-5-16(2)6-10-18/h3-10,19-22H,11-14H2,1-2H3