2-[(4-butoxy-3-methoxy-5-prop-2-enyl-phenyl)methylidene]propanedioic acid

Systemtic Name: 2-[(4-butoxy-3-methoxy-5-prop-2-enyl-phenyl)methylidene]propanedioic acid Openeye Name: 2-[(3-allyl-4-butoxy-5-methoxy-phenyl)methylene]propanedioic acid CAS Name: 2-[(4-butoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]propanedioic acid IUPAC Name: 2-[(4-butoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]propanedioic acid Traditional Name: 2-(3-allyl-4-butoxy-5-methoxy-benzylidene)malonic acid Formula: C18H22O6 MolecularWeight: 334.36368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1OC)C=C(C(=O)O)C(=O)O)CC=C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1OC)C=C(C(=O)O)C(=O)O)CC=C

InChI

InChI=1S/C18H22O6/c1-4-6-8-24-16-13(7-5-2)9-12(11-15(16)23-3)10-14(17(19)20)18(21)22/h5,9-11H,2,4,6-8H2,1,3H3,(H,19,20)(H,21,22)