Terephthalic acid
InChI:
InChI=1/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2
InChIKey:
InChIKey=KKEYFWRCBNTPAC-NUQVWONBAP
SMILES:
[O-]C(=O)C1=CC=C(C=C1)C([O-])=O
CAS number 3198-30-9
Names:
Terephthalate
terephthalate
terephthalate(2-)
Terephthalic acid
1,4-benzenedicarboxylate
1,4-Benzenedicarboxylic acid
1,4-benzenedicarboxylic acid, ion(2−)
Registries:
PubChem CID 7489
Beilstein =3590515
CAS 3198-30-9 (from NIST)
ChEBI 30043
Gmelin 328024
Kegg C06337
PubChem ID 8573
UM-BBD c0184