tert-butyl 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]oxysulfinyloxycyclohexane-1-carboxylate

Systemtic Name: tert-butyl 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]oxysulfinyloxycyclohexane-1-carboxylate Openeye Name: tert-butyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)oxysulfinyloxycyclohexanecarboxylate CAS Name: 4-[(1,3-dioxo-2-benzo[de]isoquinolinyl)oxysulfinyloxy]-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)oxysulfinyloxycyclohexane-1-carboxylate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)oxysulfinyloxycyclohexanecarboxylic acid tert-butyl ester Formula: C23H25NO7S MolecularWeight: 459.5121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC(CC1)OS(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC(CC1)OS(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C23H25NO7S/c1-23(2,3)29-22(27)15-10-12-16(13-11-15)30-32(28)31-24-20(25)17-8-4-6-14-7-5-9-18(19(14)17)21(24)26/h4-9,15-16H,10-13H2,1-3H3