InCHi String:
InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
canonical and isomeric SMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)O
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME6,7-dihydroxychromen-2-one
PUBCHEM iupac TRADITIONAL NAMEesculetin
PUBCHEM iupac CAS NAME6,7-dihydroxy-1-benzopyran-2-one
PUBCHEM iupac SYSTEMATIC NAME6,7-bis(oxidanyl)chromen-2-one
PubChem Substance (SID):
144080987 24854815 10436103PubChem Compound (CID):
5281416KEGG: Compound ID
C09263CAS Registry IDs: 305-01-1
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
CAS 305-01-1
MMCD cq_05938
Beilstein Registry Number 152788
EC Number 206-161-5
MDL number MFCD00006874
Sigma-Aldrich 246573_ALDRICH
NMRShiftDB 10016210
NIST 2728149847
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
