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 5 results

Search term: LHAVWGNSJBYOAH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58145375

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C11H19NO9S2/c1-2-5(14)3-7(12-23(18,19)20)22-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7-/t5?,6-,8-,9+,10-,11+/m1/s1
C11H19NO9S2373.39992200
58145376

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C11H19NO9S2/c1-2-5(14)3-7(12-23(18,19)20)22-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7-/t5-,6-,8-,9+,10-,11+/m1/s1
C11H19NO9S2373.39992200
58159063

Charge

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C11H19NO9S2/c1-2-5(14)3-7(12-23(18,19)20)22-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/p-1/b12-7-/t5-,6+,8+,9-,10+,11-/m0/s1
C11H18NO9S2372.39252200
58163679

Charge

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C11H19NO9S2/c1-2-5(14)3-7(12-23(18,19)20)22-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/p-1/b12-7-/t5-,6-,8-,9+,10-,11+/m1/s1
C11H18NO9S2372.39251100
58163680

Charge

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C11H19NO9S2/c1-2-5(14)3-7(12-23(18,19)20)22-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/p-1/b12-7-/t5?,6-,8-,9+,10-,11+/m1/s1
C11H18NO9S2372.39251100

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