ethyl (4E)-4-(3-ethylheptylidene)-2,3-dihydrochromene-2-carboxylate

Systemtic Name: ethyl (4E)-4-(3-ethylheptylidene)-2,3-dihydrochromene-2-carboxylate Openeye Name: ethyl (4E)-4-(3-ethylheptylidene)chromane-2-carboxylate CAS Name: (4E)-4-(3-ethylheptylidene)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-(3-ethylheptylidene)-2,3-dihydrochromene-2-carboxylate Traditional Name: (4E)-4-(3-ethylheptylidene)chroman-2-carboxylic acid ethyl ester Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC=C1CC(OC2=CC=CC=C12)C(=O)OCC

Isomeric SMILES

CCCCC(CC)C/C=C/1\CC(OC2=CC=CC=C12)C(=O)OCC

InChI

InChI=1S/C21H30O3/c1-4-7-10-16(5-2)13-14-17-15-20(21(22)23-6-3)24-19-12-9-8-11-18(17)19/h8-9,11-12,14,16,20H,4-7,10,13,15H2,1-3H3/b17-14+