dimethyl 5-(3-methanoylphenyl)-1,2-dithionane-4,6-dicarboxylate

Systemtic Name: dimethyl 5-(3-methanoylphenyl)-1,2-dithionane-4,6-dicarboxylate Openeye Name: dimethyl 5-(3-formylphenyl)dithionane-4,6-dicarboxylate CAS Name: 5-(3-formylphenyl)dithionane-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(3-formylphenyl)dithionane-4,6-dicarboxylate Traditional Name: 5-(3-formylphenyl)dithionane-4,6-dicarboxylic acid dimethyl ester Formula: C18H22O5S2 MolecularWeight: 382.49428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCSSCC(C1C2=CC=CC(=C2)C=O)C(=O)OC

Isomeric SMILES

COC(=O)C1CCCSSCC(C1C2=CC=CC(=C2)C=O)C(=O)OC

InChI

InChI=1S/C18H22O5S2/c1-22-17(20)14-7-4-8-24-25-11-15(18(21)23-2)16(14)13-6-3-5-12(9-13)10-19/h3,5-6,9-10,14-16H,4,7-8,11H2,1-2H3