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 16 results

Search term: CILPHQCEVYJUDN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
88289

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)
C12H22O3214.3013512900
5381834

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/t9-,10+,11-/m1/s1
C12H22O3214.3013514100
2015094

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/t9-,10+,11-/m0/s1
C12H22O3214.30128332500
34977856

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/t9-,10+,11+/m1/s1
C12H22O3214.301312900
21475634

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/t9?,10?,11-/m1/s1
C12H22O3214.30138400
5502977

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/t9-,10-,11-/m1/s1
C12H22O3214.30134100
5502979

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/t9-,10+,11+/m0/s1
C12H22O3214.30133200
5502981

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/t9-,10-,11+/m0/s1
C12H22O3214.30133200
21473669

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/t9-,10?,11-/m1/s1
C12H22O3214.30132100
5602554

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/p-1/t9-,10+,11-/m0/s1
C12H21O3213.29391100
78432525

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/t9-,10-,11+/m1/s1
C12H22O3214.30131100
113607366

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/t9-,10-,11-/m0/s1
C12H22O3214.30131100
5502980

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/p-1/t9-,10-,11+/m0/s1
C12H21O3213.29391100
5502978

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/p-1/t9-,10+,11+/m0/s1
C12H21O3213.29391100
5381833

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/p-1/t9-,10+,11-/m1/s1
C12H21O3213.29391100
5502976

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/p-1/t9-,10-,11-/m1/s1
C12H21O3213.29391100

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