[(E)-3-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-oxidanylidene-prop-1-enyl] benzoate

Systemtic Name: [(E)-3-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-oxidanylidene-prop-1-enyl] benzoate Openeye Name: [(E)-3-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-oxo-prop-1-enyl] benzoate CAS Name: benzoic acid [(E)-3-[3-(1-adamantyl)-4-hydroxyphenyl]-3-oxoprop-1-enyl] ester IUPAC Name: [(E)-3-[3-(1-adamantyl)-4-hydroxyphenyl]-3-oxoprop-1-enyl] benzoate Traditional Name: benzoic acid [(E)-3-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-keto-prop-1-enyl] ester Formula: C26H26O4 MolecularWeight: 402.48224

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)C=COC(=O)C5=CC=CC=C5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)/C=C/OC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C26H26O4/c27-23(8-9-30-25(29)20-4-2-1-3-5-20)21-6-7-24(28)22(13-21)26-14-17-10-18(15-26)12-19(11-17)16-26/h1-9,13,17-19,28H,10-12,14-16H2/b9-8+