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: SFRQRNJMIIUYDI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
67

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)
C5H12O9P2278.0909022116600
112576

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1
C5H12O9P2278.0909214300
10241147

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/p-2/t4-,5+/m1/s1
C5H10O9P2276.07614400
26330160

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5-/m1/s1
C5H12O9P2278.09094400
9077240

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1/i5+2
C414CH12O9P2280.08342200
9252031

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1/i2+1,3+1,4+1,5+1
C13C4H12O9P2282.06152200
9304758

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1/i5+1
C413CH12O9P2279.08362200
10163807

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1/i2+1,3+1,4+1
C213C3H12O9P2281.06892200
75095720

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4?,5-/m0/s1
C5H12O9P2278.09091100
24784757

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/p-2
C5H10O9P2276.07611100

Advertisement