dimethyl 1-(diphenylmethyl)-1-phenyl-isothiochromene-3,4-dicarboxylate

Systemtic Name: dimethyl 1-(diphenylmethyl)-1-phenyl-isothiochromene-3,4-dicarboxylate Openeye Name: dimethyl 1-benzhydryl-1-phenyl-isothiochromene-3,4-dicarboxylate CAS Name: 1-(diphenylmethyl)-1-phenyl-2-benzothiopyran-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-benzhydryl-1-phenylisothiochromene-3,4-dicarboxylate Traditional Name: 1-benzhydryl-1-phenyl-isothiochromene-3,4-dicarboxylic acid dimethyl ester Formula: C32H26O4S MolecularWeight: 506.61144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(C2=CC=CC=C21)(C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(C2=CC=CC=C21)(C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C32H26O4S/c1-35-30(33)27-25-20-12-13-21-26(25)32(24-18-10-5-11-19-24,37-29(27)31(34)36-2)28(22-14-6-3-7-15-22)23-16-8-4-9-17-23/h3-21,28H,1-2H3