2-(1-oxidanyl-3-oxidanylidene-inden-2-yl)ethyl 2,5-diethylbenzenesulfonate

Systemtic Name: 2-(1-oxidanyl-3-oxidanylidene-inden-2-yl)ethyl 2,5-diethylbenzenesulfonate Openeye Name: 2-(1-hydroxy-3-oxo-inden-2-yl)ethyl 2,5-diethylbenzenesulfonate CAS Name: 2,5-diethylbenzenesulfonic acid 2-(1-hydroxy-3-oxo-2-indenyl)ethyl ester IUPAC Name: 2-(1-hydroxy-3-oxoinden-2-yl)ethyl 2,5-diethylbenzenesulfonate Traditional Name: 2,5-diethylbenzenesulfonic acid 2-(1-hydroxy-3-keto-inden-2-yl)ethyl ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)S(=O)(=O)OCCC2=C(C3=CC=CC=C3C2=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)S(=O)(=O)OCCC2=C(C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C21H22O5S/c1-3-14-9-10-15(4-2)19(13-14)27(24,25)26-12-11-18-20(22)16-7-5-6-8-17(16)21(18)23/h5-10,13,22H,3-4,11-12H2,1-2H3