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 21 results

Search term: VRYALKFFQXWPIH (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
97292

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1
C6H12O5164.156510341197
92323

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6-/m1/s1
C6H12O5164.156578684574
16498762

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m0/s1
C6H12O5164.156521192060
196147

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2
C6H12O5164.156520273218
21473581

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1/i2+2
C514CH12O5166.1499600
148542

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1/i1T/t1?,4-,5-,6+
C6H11TO5166.164681000
24824239

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5+,6-/m0/s1
C6H12O5164.15655700
62874576

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1/i3+1
C513CH12O5165.14914300
62892077

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1/i2+1
C513CH12O5165.14913200
67492372

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1/i2D
C6H11DO5165.16263300
19953101

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5+,6+/m0/s1
C6H12O5164.156536392237
8527474

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5+,6+/m1/s1
C6H12O5164.15653100
21232548

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5+,6-/m1/s1
C6H12O5164.15652200
57268754

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1/i1+2,2+2,3+2,4+2,5+2,6+2
14C6H12O5176.11172100
77427340

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5?,6-/m0/s1
C6H12O5164.15651100
95636511

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1/i1+2
C514CH12O5166.1491100
95636512

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6-/m0/s1
C6H12O5164.15651100
113061283

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1
13C6H12O5170.11241100
64854443

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1/i2-1
C511CH12O5163.15721200
66424879

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6?/m1/s1
C6H12O5164.156511300
12

Advertisement