(2-oxidanylidene-4a,5,6,7,8,8a-hexahydrochromen-7-yl) 4-(2-ethylpentyl)benzoate

Systemtic Name: (2-oxidanylidene-4a,5,6,7,8,8a-hexahydrochromen-7-yl) 4-(2-ethylpentyl)benzoate Openeye Name: (2-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl) 4-(2-ethylpentyl)benzoate CAS Name: 4-(2-ethylpentyl)benzoic acid (2-oxo-4a,5,6,7,8,8a-hexahydro-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl) 4-(2-ethylpentyl)benzoate Traditional Name: 4-(2-ethylpentyl)benzoic acid (2-keto-4a,5,6,7,8,8a-hexahydrochromen-7-yl) ester Formula: C23H30O4 MolecularWeight: 370.4819

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CC1=CC=C(C=C1)C(=O)OC2CCC3C=CC(=O)OC3C2

Isomeric SMILES

CCCC(CC)CC1=CC=C(C=C1)C(=O)OC2CCC3C=CC(=O)OC3C2

InChI

InChI=1S/C23H30O4/c1-3-5-16(4-2)14-17-6-8-19(9-7-17)23(25)26-20-12-10-18-11-13-22(24)27-21(18)15-20/h6-9,11,13,16,18,20-21H,3-5,10,12,14-15H2,1-2H3