[4-[[1,3-bis(oxidanylidene)inden-2-ylidene]methyl]-2-methoxy-phenyl] adamantane-1-carboxylate

Systemtic Name: [4-[[1,3-bis(oxidanylidene)inden-2-ylidene]methyl]-2-methoxy-phenyl] adamantane-1-carboxylate Openeye Name: [4-[(1,3-dioxoindan-2-ylidene)methyl]-2-methoxy-phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [4-[(1,3-dioxo-2-indenylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(1,3-dioxoinden-2-ylidene)methyl]-2-methoxyphenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-[(1,3-diketoindan-2-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C28H26O5 MolecularWeight: 442.50304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)OC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)OC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H26O5/c1-32-24-12-16(11-22-25(29)20-4-2-3-5-21(20)26(22)30)6-7-23(24)33-27(31)28-13-17-8-18(14-28)10-19(9-17)15-28/h2-7,11-12,17-19H,8-10,13-15H2,1H3