methyl 4-[(2-hexyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxymethyl]benzoate

Systemtic Name: methyl 4-[(2-hexyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxymethyl]benzoate Openeye Name: methyl 4-[(2-hexyl-6-oxo-benzo[c]chromen-3-yl)oxymethyl]benzoate CAS Name: 4-[(2-hexyl-6-oxo-3-benzo[c][1]benzopyranyl)oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-hexyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]benzoate Traditional Name: 4-[(2-hexyl-6-keto-benzo[c]chromen-3-yl)oxymethyl]benzoic acid methyl ester Formula: C28H28O5 MolecularWeight: 444.51892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C3=CC=CC=C3C(=O)O2)OCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C3=CC=CC=C3C(=O)O2)OCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H28O5/c1-3-4-5-6-9-21-16-24-22-10-7-8-11-23(22)28(30)33-26(24)17-25(21)32-18-19-12-14-20(15-13-19)27(29)31-2/h7-8,10-17H,3-6,9,18H2,1-2H3