3-[(5R,6S)-5,6-bis(oxidanyl)cyclohexa-1,3-dien-1-yl]propanoic acid

Systemtic Name: 3-[(5R,6S)-5,6-bis(oxidanyl)cyclohexa-1,3-dien-1-yl]propanoic acid Openeye Name: 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoic acid CAS Name: 3-[(5R,6S)-5,6-dihydroxy-1-cyclohexa-1,3-dienyl]propanoic acid IUPAC Name: 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoic acid Traditional Name: 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propionic acid Formula: C9H12O4 MolecularWeight: 184.18918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(C(=C1)CCC(=O)O)O)O

Isomeric SMILES

C1=C[C@H]([C@H](C(=C1)CCC(=O)O)O)O

InChI

InChI=1S/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)/t7-,9+/m1/s1