dimethyl 2-(10-oxidanylidenephenanthren-9-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(10-oxidanylidenephenanthren-9-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-(10-oxo-9-phenanthrylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-(10-oxo-9-phenanthrenylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(10-oxophenanthren-9-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(10-keto-9-phenanthrylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C21H14O5S2 MolecularWeight: 410.46286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C2C3=CC=CC=C3C4=CC=CC=C4C2=O)S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=C2C3=CC=CC=C3C4=CC=CC=C4C2=O)S1)C(=O)OC

InChI

InChI=1S/C21H14O5S2/c1-25-19(23)17-18(20(24)26-2)28-21(27-17)15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(15)22/h3-10H,1-2H3