methyl (E)-7-[1-(hydroxymethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[1-(hydroxymethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]hept-5-enoate Openeye Name: methyl (E)-7-[1-(hydroxymethyl)-3-oxo-indan-2-yl]hept-5-enoate CAS Name: (E)-7-[1-(hydroxymethyl)-3-oxo-1,2-dihydroinden-2-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[1-(hydroxymethyl)-3-oxo-1,2-dihydroinden-2-yl]hept-5-enoate Traditional Name: (E)-7-(1-keto-3-methylol-indan-2-yl)hept-5-enoic acid methyl ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1C(C2=CC=CC=C2C1=O)CO

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(C2=CC=CC=C2C1=O)CO

InChI

InChI=1S/C18H22O4/c1-22-17(20)11-5-3-2-4-9-15-16(12-19)13-8-6-7-10-14(13)18(15)21/h2,4,6-8,10,15-16,19H,3,5,9,11-12H2,1H3/b4-2+