2-[(2S)-5-methoxy-2-[(E)-4-oxidanylidenepent-2-enyl]-3,4-dihydro-2H-chromen-7-yl]ethanoic acid

Systemtic Name: 2-[(2S)-5-methoxy-2-[(E)-4-oxidanylidenepent-2-enyl]-3,4-dihydro-2H-chromen-7-yl]ethanoic acid Openeye Name: 2-[(2S)-5-methoxy-2-[(E)-4-oxopent-2-enyl]chroman-7-yl]acetic acid CAS Name: 2-[(2S)-5-methoxy-2-[(E)-4-oxopent-2-enyl]-3,4-dihydro-2H-1-benzopyran-7-yl]acetic acid IUPAC Name: 2-[(2S)-5-methoxy-2-[(E)-4-oxopent-2-enyl]-3,4-dihydro-2H-chromen-7-yl]acetic acid Traditional Name: 2-[(2S)-2-[(E)-4-ketopent-2-enyl]-5-methoxy-chroman-7-yl]acetic acid Formula: C17H20O5 MolecularWeight: 304.3377

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CCC1CCC2=C(O1)C=C(C=C2OC)CC(=O)O

Isomeric SMILES

CC(=O)/C=C/C[C@@H]1CCC2=C(O1)C=C(C=C2OC)CC(=O)O

InChI

InChI=1S/C17H20O5/c1-11(18)4-3-5-13-6-7-14-15(21-2)8-12(10-17(19)20)9-16(14)22-13/h3-4,8-9,13H,5-7,10H2,1-2H3,(H,19,20)/b4-3+/t13-/m1/s1