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 10 results

Search term: XUTXGMTUPLPAHK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2204705

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H27NO5S/c1-12(2)27-21(26)17-15-10-4-3-5-11-16(15)28-19(17)22-18(23)13-8-6-7-9-14(13)20(24)25/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23)(H,24,25)
C21H27NO5S405.50778252000
873534

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO5S/c1-12(2)27-21(26)17-15-10-4-3-5-11-16(15)28-19(17)22-18(23)13-8-6-7-9-14(13)20(24)25/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23)(H,24,25)/t13-,14+/m0/s1
C21H27NO5S405.50782100
873535

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO5S/c1-12(2)27-21(26)17-15-10-4-3-5-11-16(15)28-19(17)22-18(23)13-8-6-7-9-14(13)20(24)25/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23)(H,24,25)/t13-,14-/m1/s1
C21H27NO5S405.50782100
873536

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO5S/c1-12(2)27-21(26)17-15-10-4-3-5-11-16(15)28-19(17)22-18(23)13-8-6-7-9-14(13)20(24)25/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23)(H,24,25)/t13-,14-/m0/s1
C21H27NO5S405.50782100
5414611

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO5S/c1-12(2)27-21(26)17-15-10-4-3-5-11-16(15)28-19(17)22-18(23)13-8-6-7-9-14(13)20(24)25/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23)(H,24,25)/p-1/t13-,14-/m0/s1
C21H26NO5S404.50042200
5414613

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO5S/c1-12(2)27-21(26)17-15-10-4-3-5-11-16(15)28-19(17)22-18(23)13-8-6-7-9-14(13)20(24)25/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23)(H,24,25)/t13-,14+/m1/s1
C21H27NO5S405.50782100
5414614

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO5S/c1-12(2)27-21(26)17-15-10-4-3-5-11-16(15)28-19(17)22-18(23)13-8-6-7-9-14(13)20(24)25/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23)(H,24,25)/p-1/t13-,14+/m0/s1
C21H26NO5S404.50041100
5634027

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO5S/c1-12(2)27-21(26)17-15-10-4-3-5-11-16(15)28-19(17)22-18(23)13-8-6-7-9-14(13)20(24)25/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23)(H,24,25)/p-1/t13-,14-/m1/s1
C21H26NO5S404.50041100
5414612

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO5S/c1-12(2)27-21(26)17-15-10-4-3-5-11-16(15)28-19(17)22-18(23)13-8-6-7-9-14(13)20(24)25/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23)(H,24,25)/p-1/t13-,14+/m1/s1
C21H26NO5S404.50041100
3936106

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H27NO5S/c1-12(2)27-21(26)17-15-10-4-3-5-11-16(15)28-19(17)22-18(23)13-8-6-7-9-14(13)20(24)25/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23)(H,24,25)/p-1
C21H26NO5S404.50041100

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