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 11 results

Search term: XKLZIVIOZDNKEQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7822406

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23+/m0/s1
C13H19N3O5S2361.4371232600
394292

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23?/m0/s1
C13H19N3O5S2361.4371181700
4516413

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+
C13H19N3O5S2361.43711613700
14251

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)
C13H19N3O5S2361.43714300
16744205

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23-/m0/s1
C13H19N3O5S2361.43714300
23189455

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23+/m1/s1
C13H19N3O5S2361.43713300
23189499

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23-/m1/s1
C13H19N3O5S2361.43712200
29409281

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9?,23-/m0/s1
C13H19N3O5S2361.43712200
402919

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/t9-,23?/m0/s1
C13H19N3O5S2361.43712100
65793257

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9?,23-/m1/s1
C13H19N3O5S2361.437112200

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