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
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Found 8 results

Search term: KLOZPBAJHPVGHH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4464055

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H29N3O2S/c29-23(24-18-6-7-20-21(12-18)28-14-27-20)26-9-3-4-15-10-16-11-17(22(15)26)13-25-8-2-1-5-19(16)25/h6-7,10,12,16-17,19,22H,1-5,8-9,11,13-14H2,(H,24,29)/t16-,17-,19-,22-/m1/s1
C23H29N3O2S411.560266400
58803646

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C23H29N3O2S/c29-23(24-18-6-7-20-21(12-18)28-14-27-20)26-9-3-4-15-10-16-11-17(22(15)26)13-25-8-2-1-5-19(16)25/h6-7,10,12,16-17,19,22H,1-5,8-9,11,13-14H2,(H,24,29)/t16-,17?,19-,22-/m1/s1
C23H29N3O2S411.56036600
21532002

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C23H29N3O2S/c29-23(24-18-6-7-20-21(12-18)28-14-27-20)26-9-3-4-15-10-16-11-17(22(15)26)13-25-8-2-1-5-19(16)25/h6-7,10,12,16-17,19,22H,1-5,8-9,11,13-14H2,(H,24,29)/t16?,17?,19-,22-/m1/s1
C23H29N3O2S411.56035200
23718324

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C23H29N3O2S/c29-23(24-18-6-7-20-21(12-18)28-14-27-20)26-9-3-4-15-10-16-11-17(22(15)26)13-25-8-2-1-5-19(16)25/h6-7,10,12,16-17,19,22H,1-5,8-9,11,13-14H2,(H,24,29)/t16?,17-,19-,22-/m1/s1
C23H29N3O2S411.56034300
2729169

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C23H29N3O2S/c29-23(24-18-6-7-20-21(12-18)28-14-27-20)26-9-3-4-15-10-16-11-17(22(15)26)13-25-8-2-1-5-19(16)25/h6-7,10,12,16-17,19,22H,1-5,8-9,11,13-14H2,(H,24,29)
C23H29N3O2S411.560262100
95503759

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H29N3O2S/c29-23(24-18-6-7-20-21(12-18)28-14-27-20)26-9-3-4-15-10-16-11-17(22(15)26)13-25-8-2-1-5-19(16)25/h6-7,10,12,16-17,19,22H,1-5,8-9,11,13-14H2,(H,24,29)/t16-,17+,19-,22-/m1/s1
C23H29N3O2S411.56031100
108341386

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C23H29N3O2S/c29-23(24-18-6-7-20-21(12-18)28-14-27-20)26-9-3-4-15-10-16-11-17(22(15)26)13-25-8-2-1-5-19(16)25/h6-7,10,12,16-17,19,22H,1-5,8-9,11,13-14H2,(H,24,29)/t16-,17?,19+,22+/m0/s1
C23H29N3O2S411.56031100

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