methyl 1-methoxy-3-oxidanylidene-2-propyl-azulene-3a-carboxylate

Systemtic Name: methyl 1-methoxy-3-oxidanylidene-2-propyl-azulene-3a-carboxylate Openeye Name: methyl 1-methoxy-3-oxo-2-propyl-azulene-3a-carboxylate CAS Name: 1-methoxy-3-oxo-2-propyl-3a-azulenecarboxylic acid methyl ester IUPAC Name: methyl 1-methoxy-3-oxo-2-propylazulene-3a-carboxylate Traditional Name: 3-keto-1-methoxy-2-propyl-azulene-3a-carboxylic acid methyl ester Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=CC=CC=CC2(C1=O)C(=O)OC)OC

Isomeric SMILES

CCCC1=C(C2=CC=CC=CC2(C1=O)C(=O)OC)OC

InChI

InChI=1S/C16H18O4/c1-4-8-11-13(19-2)12-9-6-5-7-10-16(12,14(11)17)15(18)20-3/h5-7,9-10H,4,8H2,1-3H3