InCHi String:
InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
canonical and isomeric SMILES: C1C2=CC=CC=C2COC1=O
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAMEisochroman-3-one
PUBCHEM iupac CAS NAME3-isochromanone
PubChem Substance (SID):
85165320 14709503 24862071PubChem Compound (CID):
78092KEGG: Compound ID
C07728CAS Registry IDs: 4385-35-7
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Sigma-Aldrich 359351_ALDRICH
ChemIDplus 004385357
ChemSpider 70470
EINECS 224-493-9
DTP/NCI 160530
NIST 3237810717
ZINC ZINC01530894
UM-BBD c0403
ChemDB 5575757
MMCD cq_04659
MDL MFCD0003005
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
