[3-[6-methyl-1,3-bis(oxidanylidene)-4-propoxy-isoindol-5-yl]oxyphenyl] 2-chloranylsulfonylbenzenesulfonate

Systemtic Name: [3-[6-methyl-1,3-bis(oxidanylidene)-4-propoxy-isoindol-5-yl]oxyphenyl] 2-chloranylsulfonylbenzenesulfonate Openeye Name: [3-(6-methyl-1,3-dioxo-4-propoxy-isoindolin-5-yl)oxyphenyl] 2-chlorosulfonylbenzenesulfonate CAS Name: 2-chlorosulfonylbenzenesulfonic acid [3-[(6-methyl-1,3-dioxo-4-propoxy-5-isoindolyl)oxy]phenyl] ester IUPAC Name: [3-(6-methyl-1,3-dioxo-4-propoxyisoindol-5-yl)oxyphenyl] 2-chlorosulfonylbenzenesulfonate Traditional Name: 2-chlorosulfonylbenzenesulfonic acid [3-(1,3-diketo-6-methyl-4-propoxy-isoindolin-5-yl)oxyphenyl] ester Formula: C24H20ClNO9S2 MolecularWeight: 565.9999

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=CC(=C1OC3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC=C4S(=O)(=O)Cl)C)C(=O)NC2=O

Isomeric SMILES

CCCOC1=C2C(=CC(=C1OC3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC=C4S(=O)(=O)Cl)C)C(=O)NC2=O

InChI

InChI=1S/C24H20ClNO9S2/c1-3-11-33-22-20-17(23(27)26-24(20)28)12-14(2)21(22)34-15-7-6-8-16(13-15)35-37(31,32)19-10-5-4-9-18(19)36(25,29)30/h4-10,12-13H,3,11H2,1-2H3,(H,26,27,28)