methyl 6-(1,3-dithian-2-yl)-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate

Systemtic Name: methyl 6-(1,3-dithian-2-yl)-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate Openeye Name: methyl 6-(1,3-dithian-2-yl)-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate CAS Name: 6-(1,3-dithian-2-yl)-2,2-bis(4-methoxyphenyl)-5-benzo[h][1]benzopyrancarboxylic acid methyl ester IUPAC Name: methyl 6-(1,3-dithian-2-yl)-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate Traditional Name: 6-(1,3-dithian-2-yl)-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylic acid methyl ester Formula: C33H30O5S2 MolecularWeight: 570.7183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C=CC3=C(O2)C4=CC=CC=C4C(=C3C(=O)OC)C5SCCCS5)C6=CC=C(C=C6)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2(C=CC3=C(O2)C4=CC=CC=C4C(=C3C(=O)OC)C5SCCCS5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C33H30O5S2/c1-35-23-13-9-21(10-14-23)33(22-11-15-24(36-2)16-12-22)18-17-27-28(31(34)37-3)29(32-39-19-6-20-40-32)25-7-4-5-8-26(25)30(27)38-33/h4-5,7-18,32H,6,19-20H2,1-3H3