2-[2-oxidanyl-6-(phenylsulfonyl)hex-4-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanyl-6-(phenylsulfonyl)hex-4-ynyl]isoindole-1,3-dione Openeye Name: 2-[6-(benzenesulfonyl)-2-hydroxy-hex-4-ynyl]isoindoline-1,3-dione CAS Name: 2-[6-(benzenesulfonyl)-2-hydroxyhex-4-ynyl]isoindole-1,3-dione IUPAC Name: 2-[6-(benzenesulfonyl)-2-hydroxyhex-4-ynyl]isoindole-1,3-dione Traditional Name: 2-(6-besyl-2-hydroxy-hex-4-ynyl)isoindoline-1,3-quinone Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC#CCC(CN2C(=O)C3=CC=CC=C3C2=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC#CCC(CN2C(=O)C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C20H17NO5S/c22-15(8-6-7-13-27(25,26)16-9-2-1-3-10-16)14-21-19(23)17-11-4-5-12-18(17)20(21)24/h1-5,9-12,15,22H,8,13-14H2