ethyl (4E)-4-heptylidene-2,3-dihydrochromene-2-carboxylate; ethyl (2S,3R)-3-hexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate

Systemtic Name: ethyl (4E)-4-heptylidene-2,3-dihydrochromene-2-carboxylate; ethyl (2S,3R)-3-hexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate Openeye Name: ethyl (4E)-4-heptylidenechromane-2-carboxylate; ethyl (2S,3R)-3-hexyl-4-methylene-chromane-2-carboxylate CAS Name: (4E)-4-heptylidene-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester; (2S,3R)-3-hexyl-4-methylene-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-heptylidene-2,3-dihydrochromene-2-carboxylate; ethyl (2S,3R)-3-hexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate Traditional Name: (4E)-4-heptylidenechroman-2-carboxylic acid ethyl ester; (2S,3R)-3-hexyl-4-methylene-chroman-2-carboxylic acid ethyl ester Formula: C38H52O6 MolecularWeight: 604.81588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=C1CC(OC2=CC=CC=C12)C(=O)OCC.CCCCCCC1C(OC2=CC=CC=C2C1=C)C(=O)OCC

Isomeric SMILES

CCCCCC/C=C/1\CC(OC2=CC=CC=C12)C(=O)OCC.CCCCCC[C@H]1[C@H](OC2=CC=CC=C2C1=C)C(=O)OCC

InChI

InChI=1S/2C19H26O3/c1-4-6-7-8-12-16-14(3)15-11-9-10-13-17(15)22-18(16)19(20)21-5-2;1-3-5-6-7-8-11-15-14-18(19(20)21-4-2)22-17-13-10-9-12-16(15)17/h9-11,13,16,18H,3-8,12H2,1-2H3;9-13,18H,3-8,14H2,1-2H3/b;15-11+/t16-,18+;/m1./s1