[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl] 4-hexoxybenzoate

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl] 4-hexoxybenzoate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-chromen-7-yl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxochromen-7-yl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-chromen-7-yl] ester Formula: C30H29ClO6 MolecularWeight: 521.00066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=C(C(=C4)C)Cl)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=C(C(=C4)C)Cl)C

InChI

InChI=1S/C30H29ClO6/c1-4-5-6-7-14-34-22-10-8-21(9-11-22)30(33)37-23-12-13-25-26(17-23)35-18-27(29(25)32)36-24-15-19(2)28(31)20(3)16-24/h8-13,15-18H,4-7,14H2,1-3H3