methyl 4-[(2-hexyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxymethyl]benzoate

Systemtic Name: methyl 4-[(2-hexyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxymethyl]benzoate Openeye Name: methyl 4-[(2-hexyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxymethyl]benzoate CAS Name: 4-[(2-hexyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-hexyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxymethyl]benzoate Traditional Name: 4-[(2-hexyl-6-keto-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxymethyl]benzoic acid methyl ester Formula: C28H32O5 MolecularWeight: 448.55068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C3=C(CCCC3)C(=O)O2)OCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C3=C(CCCC3)C(=O)O2)OCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H32O5/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/h12-17H,3-11,18H2,1-2H3