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 6 results

Search term: DVUVPUFNMDMYJB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7841822

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H29N3O3S/c1-3-4-8-11-27-14-19-13-18(21(26)28-19)12-16(2)24-25-22-23-20(15-29-22)17-9-6-5-7-10-17/h5-7,9-10,15,18-19H,3-4,8,11-14H2,1-2H3,(H,23,25)/b24-16+
C22H29N3O3S415.549191300
2140313

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H29N3O3S/c1-3-4-8-11-27-14-19-13-18(21(26)28-19)12-16(2)24-25-22-23-20(15-29-22)17-9-6-5-7-10-17/h5-7,9-10,15,18-19H,3-4,8,11-14H2,1-2H3,(H,23,25)
C22H29N3O3S415.548967500
5633510

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H29N3O3S/c1-3-4-8-11-27-14-19-13-18(21(26)28-19)12-16(2)24-25-22-23-20(15-29-22)17-9-6-5-7-10-17/h5-7,9-10,15,18-19H,3-4,8,11-14H2,1-2H3,(H,23,25)/b24-16-/t18-,19-/m0/s1
C22H29N3O3S415.5492100
5633511

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H29N3O3S/c1-3-4-8-11-27-14-19-13-18(21(26)28-19)12-16(2)24-25-22-23-20(15-29-22)17-9-6-5-7-10-17/h5-7,9-10,15,18-19H,3-4,8,11-14H2,1-2H3,(H,23,25)/b24-16-/t18-,19+/m0/s1
C22H29N3O3S415.5492100
5633512

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H29N3O3S/c1-3-4-8-11-27-14-19-13-18(21(26)28-19)12-16(2)24-25-22-23-20(15-29-22)17-9-6-5-7-10-17/h5-7,9-10,15,18-19H,3-4,8,11-14H2,1-2H3,(H,23,25)/b24-16-/t18-,19+/m1/s1
C22H29N3O3S415.5492100
5633513

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H29N3O3S/c1-3-4-8-11-27-14-19-13-18(21(26)28-19)12-16(2)24-25-22-23-20(15-29-22)17-9-6-5-7-10-17/h5-7,9-10,15,18-19H,3-4,8,11-14H2,1-2H3,(H,23,25)/b24-16-/t18-,19-/m1/s1
C22H29N3O3S415.5492100

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