methyl (2E)-2-(pyren-1-ylmethylidene)-1,3-benzodithiole-5-carboxylate

Systemtic Name: methyl (2E)-2-(pyren-1-ylmethylidene)-1,3-benzodithiole-5-carboxylate Openeye Name: methyl (2E)-2-(pyren-1-ylmethylene)-1,3-benzodithiole-5-carboxylate CAS Name: (2E)-2-(1-pyrenylmethylidene)-1,3-benzodithiole-5-carboxylic acid methyl ester IUPAC Name: methyl (2E)-2-(pyren-1-ylmethylidene)-1,3-benzodithiole-5-carboxylate Traditional Name: (2E)-2-(pyren-1-ylmethylene)-1,3-benzodithiole-5-carboxylic acid methyl ester Formula: C26H16O2S2 MolecularWeight: 424.53404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC(=CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)S2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)S/C(=C\C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)/S2

InChI

InChI=1S/C26H16O2S2/c1-28-26(27)19-10-12-21-22(13-19)30-23(29-21)14-18-8-7-17-6-5-15-3-2-4-16-9-11-20(18)25(17)24(15)16/h2-14H,1H3/b23-14+