(E)-1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-4-methoxy-but-3-en-2-one

Systemtic Name: (E)-1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-4-methoxy-but-3-en-2-one Openeye Name: (E)-1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-4-methoxy-but-3-en-2-one CAS Name: (E)-1-(3-hexyl-6,7-dimethoxy-1H-2-benzopyran-1-yl)-4-methoxy-3-buten-2-one IUPAC Name: (E)-1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-4-methoxybut-3-en-2-one Traditional Name: (E)-1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-4-methoxy-but-3-en-2-one Formula: C22H30O5 MolecularWeight: 374.4706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC(=C(C=C2C(O1)CC(=O)C=COC)OC)OC

Isomeric SMILES

CCCCCCC1=CC2=CC(=C(C=C2C(O1)CC(=O)/C=C/OC)OC)OC

InChI

InChI=1S/C22H30O5/c1-5-6-7-8-9-18-12-16-13-21(25-3)22(26-4)15-19(16)20(27-18)14-17(23)10-11-24-2/h10-13,15,20H,5-9,14H2,1-4H3/b11-10+