(2S)-7-(hydroxymethyl)-5-methoxy-2-[(E)-4-oxidanylidenepent-2-enyl]-3,4-dihydro-2H-chromene-8-carboxylic acid

Systemtic Name: (2S)-7-(hydroxymethyl)-5-methoxy-2-[(E)-4-oxidanylidenepent-2-enyl]-3,4-dihydro-2H-chromene-8-carboxylic acid Openeye Name: (2S)-7-(hydroxymethyl)-5-methoxy-2-[(E)-4-oxopent-2-enyl]chromane-8-carboxylic acid CAS Name: (2S)-7-(hydroxymethyl)-5-methoxy-2-[(E)-4-oxopent-2-enyl]-3,4-dihydro-2H-1-benzopyran-8-carboxylic acid IUPAC Name: (2S)-7-(hydroxymethyl)-5-methoxy-2-[(E)-4-oxopent-2-enyl]-3,4-dihydro-2H-chromene-8-carboxylic acid Traditional Name: (2S)-2-[(E)-4-ketopent-2-enyl]-5-methoxy-7-methylol-chroman-8-carboxylic acid Formula: C17H20O6 MolecularWeight: 320.3371

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CCC1CCC2=C(C=C(C(=C2O1)C(=O)O)CO)OC

Isomeric SMILES

CC(=O)/C=C/C[C@@H]1CCC2=C(C=C(C(=C2O1)C(=O)O)CO)OC

InChI

InChI=1S/C17H20O6/c1-10(19)4-3-5-12-6-7-13-14(22-2)8-11(9-18)15(17(20)21)16(13)23-12/h3-4,8,12,18H,5-7,9H2,1-2H3,(H,20,21)/b4-3+/t12-/m1/s1