InCHi String:
InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
canonical and isomeric SMILES: C1=CC=C(C(=C1)C(=O)O)C(=O)O
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAMEphthalic acid
PubChem Substance (SID):
85165184 10537519 7852976PubChem Compound (CID):
1017KEGG: Compound ID
C01606CAS Registry IDs: 72845-50-2 88-99-3
PDB Chemical Component
PHTMiscellaneous Databases and IDs:
Sigma-Aldrich 04924_FLUKA
ChEBI CHEBI:29069 EPA DSSTox 1484
BioCyc PHTHALATE
ChemIDplus 072845502
ChemSpider 15211648
MMDB 10691.13
NMRShiftDB 10021260
NIST Chemistry WebBook 4129414894
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
