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: CFOFZYMMJZILHE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
45743318

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-13,16-17,20-21,23-24H,2,4,14-15,18-19H2,1H3,(H,25,26)/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
C22H32O4360.4871121100
8649109

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-13,16-17,20-21,23-24H,2,4,14-15,18-19H2,1H3,(H,25,26)/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+
C22H32O4360.48712100
9557764

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-13,16-17,20-21,23-24H,2,4,14-15,18-19H2,1H3,(H,25,26)/b7-5u,8-6u,10-3-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
C22H32O4360.48712100
9799430

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-13,16-17,20-21,23-24H,2,4,14-15,18-19H2,1H3,(H,25,26)/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21+/m1/s1
C22H32O4360.48712100
107445596

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-13,16-17,20-21,23-24H,2,4,14-15,18-19H2,1H3,(H,25,26)/b7-5-,8-6-,10-3+,13-9-,16-11-,17-12+/t20?,21-/m1/s1
C22H32O4360.48712200
128916715

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-13,16-17,20-21,23-24H,2,4,14-15,18-19H2,1H3,(H,25,26)/b7-5+,8-6u,10-3+,13-9+,16-11u,17-12+
C22H32O4360.48711100
128919768

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-13,16-17,20-21,23-24H,2,4,14-15,18-19H2,1H3,(H,25,26)/p-1/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
C22H31O4359.47971100
57491097

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H32O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-13,16-17,20-21,23-24H,2,4,14-15,18-19H2,1H3,(H,25,26)/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21-/m1/s1
C22H32O4360.48711100

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