dimethyl 2-(10-oxidanylideneanthracen-9-ylidene)-4,7-dihydro-1,3-benzodithiole-5,6-dicarboxylate

Systemtic Name: dimethyl 2-(10-oxidanylideneanthracen-9-ylidene)-4,7-dihydro-1,3-benzodithiole-5,6-dicarboxylate Openeye Name: dimethyl 2-(10-oxo-9-anthrylidene)-4,7-dihydro-1,3-benzodithiole-5,6-dicarboxylate CAS Name: 2-(10-oxo-9-anthracenylidene)-4,7-dihydro-1,3-benzodithiole-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(10-oxoanthracen-9-ylidene)-4,7-dihydro-1,3-benzodithiole-5,6-dicarboxylate Traditional Name: 2-(10-keto-9-anthrylidene)-4,7-dihydro-1,3-benzodithiole-5,6-dicarboxylic acid dimethyl ester Formula: C25H18O5S2 MolecularWeight: 462.53742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2=C(C1)SC(=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)S2)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(CC2=C(C1)SC(=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)S2)C(=O)OC

InChI

InChI=1S/C25H18O5S2/c1-29-23(27)17-11-19-20(12-18(17)24(28)30-2)32-25(31-19)21-13-7-3-5-9-15(13)22(26)16-10-6-4-8-14(16)21/h3-10H,11-12H2,1-2H3