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: BTOTXLJHDSNXMW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58667

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t6-,8+/m0/s1
C9H12N2O4212.2026857000
315874

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H12N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,13,14)
C9H12N2O4212.2026253200
397636

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t6-,8+/m1/s1
C9H12N2O4212.202612700
21509838

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H12N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t6?,8-/m1/s1
C9H12N2O4212.20267300
628283

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t6-,8-/m1/s1
C9H12N2O4212.20265300
398846

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t6-,8-/m0/s1
C9H12N2O4212.20264300
57268506

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H12N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t6-,8+/m0/s1/i1T,2T/t1?,2?,6-,8+
C9H10T2N2O4216.21882100

Advertisement