methyl 4-ethanoyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate

Systemtic Name: methyl 4-ethanoyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate Openeye Name: methyl 4-acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate CAS Name: 4-acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid methyl ester IUPAC Name: methyl 4-acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate Traditional Name: 4-acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid methyl ester Formula: C27H28O3 MolecularWeight: 400.50942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)OC

Isomeric SMILES

CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)OC

InChI

InChI=1S/C27H28O3/c1-15(28)24-20-7-3-5-16(20)9-18-11-27(13-22(18)24)12-19-10-17-6-4-8-21(17)25(23(19)14-27)26(29)30-2/h9-10H,3-8,11-14H2,1-2H3