7-(3,3-dimethyl-2-oxidanylidene-butoxy)-6-hexyl-4-phenyl-chromen-2-one

Systemtic Name: 7-(3,3-dimethyl-2-oxidanylidene-butoxy)-6-hexyl-4-phenyl-chromen-2-one Openeye Name: 7-(3,3-dimethyl-2-oxo-butoxy)-6-hexyl-4-phenyl-chromen-2-one CAS Name: 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-1-benzopyran-2-one IUPAC Name: 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenylchromen-2-one Traditional Name: 6-hexyl-7-(2-keto-3,3-dimethyl-butoxy)-4-phenyl-coumarin Formula: C27H32O4 MolecularWeight: 420.54058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC(=O)C(C)(C)C

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC(=O)C(C)(C)C

InChI

InChI=1S/C27H32O4/c1-5-6-7-9-14-20-15-22-21(19-12-10-8-11-13-19)16-26(29)31-24(22)17-23(20)30-18-25(28)27(2,3)4/h8,10-13,15-17H,5-7,9,14,18H2,1-4H3