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 7 results

Search term: JIKPFDXBWSSTCF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21168543

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2OS2/c10-6-5-14-8(4-11-9(6)12)7-2-1-3-13-7/h1-3,6,8H,4-5,10H2,(H,11,12)/t6-,8-/m0/s1
C9H12N2OS2228.3344865000
23935284

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2OS2/c10-6-5-14-8(4-11-9(6)12)7-2-1-3-13-7/h1-3,6,8H,4-5,10H2,(H,11,12)/t6-,8+/m0/s1
C9H12N2OS2228.3344261500
14798213

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H12N2OS2/c10-6-5-14-8(4-11-9(6)12)7-2-1-3-13-7/h1-3,6,8H,4-5,10H2,(H,11,12)
C9H12N2OS2228.3344151400
78475017

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2OS2/c10-6-5-14-8(4-11-9(6)12)7-2-1-3-13-7/h1-3,6,8H,4-5,10H2,(H,11,12)/t6-,8+/m1/s1
C9H12N2OS2228.33442200
78475018

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2OS2/c10-6-5-14-8(4-11-9(6)12)7-2-1-3-13-7/h1-3,6,8H,4-5,10H2,(H,11,12)/t6-,8-/m1/s1
C9H12N2OS2228.33441100
68026516

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H12N2OS2/c10-6-5-14-8(4-11-9(6)12)7-2-1-3-13-7/h1-3,6,8H,4-5,10H2,(H,11,12)/t6?,8-/m0/s1
C9H12N2OS2228.33441100
68026533

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H12N2OS2/c10-6-5-14-8(4-11-9(6)12)7-2-1-3-13-7/h1-3,6,8H,4-5,10H2,(H,11,12)/t6?,8-/m1/s1
C9H12N2OS2228.33441100

Advertisement