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 8 results

Search term: FXCTZFMSAHZQTR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4870270

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11-
C13H13NO4247.2466414300
4300543

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3
C13H13NO4247.24662191800
4884345

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11+
C13H13NO4247.246610700
8281529

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11-/t9-,13-/m0/s1
C13H13NO4247.24665300
57876254

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11+/t9-,13-/m0/s1
C13H13NO4247.24665400
7879091

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11+/t9-,13-/m1/s1
C13H13NO4247.24663300
23214701

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11-/t9?,13-/m1/s1
C13H13NO4247.24662200
23214736

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11-/t9?,13-/m0/s1
C13H13NO4247.24662200

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