[4-oxidanylidene-3-(2,3,5-trimethylphenoxy)chromen-7-yl] 4-(2-methylphenoxy)butanoate

Systemtic Name: [4-oxidanylidene-3-(2,3,5-trimethylphenoxy)chromen-7-yl] 4-(2-methylphenoxy)butanoate Openeye Name: [4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl] 4-(2-methylphenoxy)butanoate CAS Name: 4-(2-methylphenoxy)butanoic acid [4-oxo-3-(2,3,5-trimethylphenoxy)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl] 4-(2-methylphenoxy)butanoate Traditional Name: 4-(2-methylphenoxy)butyric acid [4-keto-3-(2,3,5-trimethylphenoxy)chromen-7-yl] ester Formula: C29H28O6 MolecularWeight: 472.52902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=CC(=C4C)C)C

Isomeric SMILES

CC1=CC=CC=C1OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=CC(=C4C)C)C

InChI

InChI=1S/C29H28O6/c1-18-14-20(3)21(4)25(15-18)35-27-17-33-26-16-22(11-12-23(26)29(27)31)34-28(30)10-7-13-32-24-9-6-5-8-19(24)2/h5-6,8-9,11-12,14-17H,7,10,13H2,1-4H3