3-[[4,6-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid

Systemtic Name: 3-[[4,6-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid Openeye Name: 3-[(4,6-dihydroxychroman-3-yl)methyl]benzoic acid CAS Name: 3-[(4,6-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]benzoic acid IUPAC Name: 3-[(4,6-dihydroxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzoic acid Traditional Name: 3-[(4,6-dihydroxychroman-3-yl)methyl]benzoic acid Formula: C17H16O5 MolecularWeight: 300.30594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=CC(=C2)O)O)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1C(C(C2=C(O1)C=CC(=C2)O)O)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H16O5/c18-13-4-5-15-14(8-13)16(19)12(9-22-15)7-10-2-1-3-11(6-10)17(20)21/h1-6,8,12,16,18-19H,7,9H2,(H,20,21)