3-decoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-[(E)-hex-3-enoxy]chromen-2-one

Systemtic Name: 3-decoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-[(E)-hex-3-enoxy]chromen-2-one Openeye Name: 3-decoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-[(E)-hex-3-enoxy]chromen-2-one CAS Name: 3-decoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-[(E)-hex-3-enoxy]-1-benzopyran-2-one IUPAC Name: 3-decoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-[(E)-hex-3-enoxy]chromen-2-one Traditional Name: 3-decoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-[(E)-hex-3-enoxy]coumarin Formula: C35H52O5 MolecularWeight: 552.78438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C2=C(C=CC=C2OCCC=CCC)OC1=O)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCCCOC1=C(C2=C(C=CC=C2OCC/C=C/CC)OC1=O)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C35H52O5/c1-6-8-10-12-13-14-15-17-26-38-34-33(39-27-24-29(5)21-18-20-28(3)4)32-30(37-25-16-11-9-7-2)22-19-23-31(32)40-35(34)36/h9,11,19-20,22-24H,6-8,10,12-18,21,25-27H2,1-5H3/b11-9+,29-24+