diethyl 3-(2,3-dihydro-1H-inden-1-ylsulfonyl)-2,5-bis(oxidanyl)benzene-1,4-dicarboxylate

Systemtic Name: diethyl 3-(2,3-dihydro-1H-inden-1-ylsulfonyl)-2,5-bis(oxidanyl)benzene-1,4-dicarboxylate Openeye Name: diethyl 2,5-dihydroxy-3-indan-1-ylsulfonyl-benzene-1,4-dicarboxylate CAS Name: 3-(2,3-dihydro-1H-inden-1-ylsulfonyl)-2,5-dihydroxybenzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-(2,3-dihydro-1H-inden-1-ylsulfonyl)-2,5-dihydroxybenzene-1,4-dicarboxylate Traditional Name: 2,5-dihydroxy-3-indan-1-ylsulfonyl-benzene-1,4-dicarboxylic acid diethyl ester Formula: C21H22O8S MolecularWeight: 434.45958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1O)S(=O)(=O)C2CCC3=CC=CC=C23)C(=O)OCC)O

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1O)S(=O)(=O)C2CCC3=CC=CC=C23)C(=O)OCC)O

InChI

InChI=1S/C21H22O8S/c1-3-28-20(24)14-11-15(22)17(21(25)29-4-2)19(18(14)23)30(26,27)16-10-9-12-7-5-6-8-13(12)16/h5-8,11,16,22-23H,3-4,9-10H2,1-2H3