dimethyl (3aS,9aR)-3-(diphenylmethylidene)-6,9a-dihydro-3aH-cyclopenta[b]azulene-9,9-dicarboxylate

Systemtic Name: dimethyl (3aS,9aR)-3-(diphenylmethylidene)-6,9a-dihydro-3aH-cyclopenta[b]azulene-9,9-dicarboxylate Openeye Name: dimethyl (3aS,9aR)-3-benzhydrylidene-6,9a-dihydro-3aH-cyclopenta[b]azulene-9,9-dicarboxylate CAS Name: (3aS,9aR)-3-(diphenylmethylene)-6,9a-dihydro-3aH-cyclopenta[b]azulene-9,9-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3aS,9aR)-3-benzhydrylidene-6,9a-dihydro-3aH-cyclopenta[b]azulene-9,9-dicarboxylate Traditional Name: (3aS,9aR)-3-benzhydrylidene-6,9a-dihydro-3aH-cyclopent[b]azulene-9,9-dicarboxylic acid dimethyl ester Formula: C30H26O4 MolecularWeight: 450.52504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2C=CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2C5=C1C=CCC=C5)C(=O)OC

Isomeric SMILES

COC(=O)C1([C@@H]2C=CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)[C@@H]2C5=C1C=CCC=C5)C(=O)OC

InChI

InChI=1S/C30H26O4/c1-33-28(31)30(29(32)34-2)24-17-11-5-10-16-22(24)27-23(18-19-25(27)30)26(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-19,25,27H,5H2,1-2H3/t25-,27+/m1/s1