methyl 2-dibenzothiophen-2-yl-2-(4-methoxyphenyl)-6-phenyl-thieno[3,2-c]xanthene-5-carboxylate

Systemtic Name: methyl 2-dibenzothiophen-2-yl-2-(4-methoxyphenyl)-6-phenyl-thieno[3,2-c]xanthene-5-carboxylate Openeye Name: methyl 2-dibenzothiophen-2-yl-2-(4-methoxyphenyl)-6-phenyl-thieno[3,2-c]xanthene-5-carboxylate CAS Name: 2-(2-dibenzothiophenyl)-2-(4-methoxyphenyl)-6-phenyl-5-thieno[3,2-c]xanthenecarboxylic acid methyl ester IUPAC Name: methyl 2-dibenzothiophen-2-yl-2-(4-methoxyphenyl)-6-phenylthieno[3,2-c]xanthene-5-carboxylate Traditional Name: 2-dibenzothiophen-2-yl-2-(4-methoxyphenyl)-6-phenyl-thieno[3,2-c]xanthene-5-carboxylic acid methyl ester Formula: C42H28O4S2 MolecularWeight: 660.79932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C=C3C=C(C4=C(C5=CC=CC=C5OC4=C3S2)C6=CC=CC=C6)C(=O)OC)C7=CC8=C(C=C7)SC9=CC=CC=C98

Isomeric SMILES

COC1=CC=C(C=C1)C2(C=C3C=C(C4=C(C5=CC=CC=C5OC4=C3S2)C6=CC=CC=C6)C(=O)OC)C7=CC8=C(C=C7)SC9=CC=CC=C98

InChI

InChI=1S/C42H28O4S2/c1-44-29-19-16-27(17-20-29)42(28-18-21-36-32(23-28)30-12-7-9-15-35(30)47-36)24-26-22-33(41(43)45-2)38-37(25-10-4-3-5-11-25)31-13-6-8-14-34(31)46-39(38)40(26)48-42/h3-24H,1-2H3