[4-decoxy-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxidanylidene-chromen-3-yl] benzoate

Systemtic Name: [4-decoxy-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxidanylidene-chromen-3-yl] benzoate Openeye Name: [4-decoxy-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxo-chromen-3-yl] benzoate CAS Name: benzoic acid [4-decoxy-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxo-1-benzopyran-3-yl] ester IUPAC Name: [4-decoxy-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxochromen-3-yl] benzoate Traditional Name: benzoic acid [4-decoxy-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-keto-chromen-3-yl] ester Formula: C36H46O6 MolecularWeight: 574.74684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=O)OC2=C1C(=CC=C2)OCC=C(C)CCC=C(C)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=O)OC2=C1C(=CC=C2)OC/C=C(\C)/CCC=C(C)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C36H46O6/c1-5-6-7-8-9-10-11-15-25-40-33-32-30(39-26-24-28(4)19-16-18-27(2)3)22-17-23-31(32)41-36(38)34(33)42-35(37)29-20-13-12-14-21-29/h12-14,17-18,20-24H,5-11,15-16,19,25-26H2,1-4H3/b28-24+