3-decoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-[(2-methylpropan-2-yl)oxy]chromen-2-one

Systemtic Name: 3-decoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-[(2-methylpropan-2-yl)oxy]chromen-2-one Openeye Name: 5-tert-butoxy-3-decoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one CAS Name: 3-decoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-[(2-methylpropan-2-yl)oxy]-1-benzopyran-2-one IUPAC Name: 3-decoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-[(2-methylpropan-2-yl)oxy]chromen-2-one Traditional Name: 5-tert-butoxy-3-decoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]coumarin Formula: C33H50O5 MolecularWeight: 526.7471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C2=C(C=CC=C2OC(C)(C)C)OC1=O)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCCCOC1=C(C2=C(C=CC=C2OC(C)(C)C)OC1=O)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C33H50O5/c1-8-9-10-11-12-13-14-15-23-35-31-30(36-24-22-26(4)19-16-18-25(2)3)29-27(37-32(31)34)20-17-21-28(29)38-33(5,6)7/h17-18,20-22H,8-16,19,23-24H2,1-7H3/b26-22+