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 9 results

Search term: CETRDCWBMBILAL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34998014

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4-,5-,9-/m0/s1
C10H17N7O9S411.348591100
30791735

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4+,5-,9-/m0/s1
C10H17N7O9S411.34857700
2299160

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/b12-7-/t3-,4+,5-,9?/m0/s1
C10H17N7O9S411.348483200
9814924

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/b12-7-/t3-,4-,5-,9?/m0/s1
C10H17N7O9S411.34852100
10472997

Charge

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/p+1/t3-,4+,5-,9-/m0/s1
C10H18N7O9S412.35592200
10472998

Charge

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/p+1/t3-,4-,5-,9-/m0/s1
C10H18N7O9S412.35592200
94639

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/b12-7-
C10H17N7O9S411.34852200
35013616

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)
C10H17N7O9S411.34851200
58817816

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4+,5-,9?/m0/s1
C10H17N7O9S411.34851100

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