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

Systemtic Name: 4-[(E)-3-[3-(1-adamantyl)-4-(methoxymethoxy)phenyl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-[3-(1-adamantyl)-4-(methoxymethoxy)phenyl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[3-(1-adamantyl)-4-(methoxymethoxy)phenyl]-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-[3-(1-adamantyl)-4-(methoxymethoxy)phenyl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[3-(1-adamantyl)-4-(methoxymethoxy)phenyl]-3-keto-prop-1-enyl]benzoate Formula: C28H29O5- MolecularWeight: 445.52686

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCOC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H30O5/c1-32-17-33-26-9-7-23(25(29)8-4-18-2-5-22(6-3-18)27(30)31)13-24(26)28-14-19-10-20(15-28)12-21(11-19)16-28/h2-9,13,19-21H,10-12,14-17H2,1H3,(H,30,31)/p-1/b8-4+