ethyl 3-methyl-2-(4-octylphenyl)-4-oxidanylidene-chromene-8-carboxylate

Systemtic Name: ethyl 3-methyl-2-(4-octylphenyl)-4-oxidanylidene-chromene-8-carboxylate Openeye Name: ethyl 3-methyl-2-(4-octylphenyl)-4-oxo-chromene-8-carboxylate CAS Name: 3-methyl-2-(4-octylphenyl)-4-oxo-1-benzopyran-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-(4-octylphenyl)-4-oxochromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-(4-octylphenyl)chromene-8-carboxylic acid ethyl ester Formula: C27H32O4 MolecularWeight: 420.54058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C27H32O4/c1-4-6-7-8-9-10-12-20-15-17-21(18-16-20)25-19(3)24(28)22-13-11-14-23(26(22)31-25)27(29)30-5-2/h11,13-18H,4-10,12H2,1-3H3