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8MO

Summary
Name:METHOXSALEN
Synonyms:9-METHOXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE
Formula:C12 H8 O4
Formal charge:0
Formula weight:216.19 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.049-methoxy-7H-furo[3,2-g]chromen-7-one
OpenEye OEToolkits1.5.09-methoxypyrano[5,6-f][1]benzoxol-7-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C3Oc2c(OC)c1occc1cc2C=C3
SMILES_CANONICALCACTVS3.341COc1c2occc2cc3C=CC(=O)Oc13
SMILESCACTVS3.341COc1c2occc2cc3C=CC(=O)Oc13
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1c2c(cco2)cc3c1OC(=O)C=C3
SMILESOpenEye OEToolkits1.5.0COc1c2c(cco2)cc3c1OC(=O)C=C3
InChIInChI1.03InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKeyInChI1.03QXKHYNVANLEOEG-UHFFFAOYSA-N

217157

PDB entries from 2024-03-13

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