Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 7 results

Search term: JDZJPBGMOPJBQP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4746535

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H13NO3/c1-9(12(15)16)13-11(14)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)(H,15,16)/b8-7+
C12H13NO3219.2365302600
1721911

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H13NO3/c1-9(12(15)16)13-11(14)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)(H,15,16)/b8-7+/t9-/m0/s1
C12H13NO3219.2365121100
2992378

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H13NO3/c1-9(12(15)16)13-11(14)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)(H,15,16)
C12H13NO3219.236526500
1721909

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H13NO3/c1-9(12(15)16)13-11(14)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)(H,15,16)/b8-7+/t9-/m1/s1
C12H13NO3219.23654400
30497064

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H13NO3/c1-9(12(15)16)13-11(14)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)(H,15,16)/t9-/m0/s1
C12H13NO3219.23652200
1721908

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H13NO3/c1-9(12(15)16)13-11(14)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)(H,15,16)/p-1/b8-7+/t9-/m1/s1
C12H12NO3218.22911100
1721910

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H13NO3/c1-9(12(15)16)13-11(14)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)(H,15,16)/p-1/b8-7+/t9-/m0/s1
C12H12NO3218.22911100

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