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 9 results

Search term: IWIVCNVLSKNJJS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5293143

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H19N7O6S2/c1-34-27-15(13-9-37-22(23)25-13)18(30)26-16-19(31)29-17(21(32)33)12(8-36-20(16)29)7-28-4-2-11(3-5-28)14-6-24-10-35-14/h2-6,9-10,16,20H,7-8H2,1H3,(H3-,23,25,26,30,32,33)/b27-15+/t16-,20-/m1/s1
C22H19N7O6S2541.5595599999994400
5293144

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H19N7O6S2/c1-34-27-15(13-9-37-22(23)25-13)18(30)26-16-19(31)29-17(21(32)33)12(8-36-20(16)29)7-28-4-2-11(3-5-28)14-6-24-10-35-14/h2-6,9-10,16,20H,7-8H2,1H3,(H3-,23,25,26,30,32,33)/p+1/b27-15+/t16-,20-/m1/s1
C22H20N7O6S2542.5674999999993300
4891515

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H19N7O6S2/c1-34-27-15(13-9-37-22(23)25-13)18(30)26-16-19(31)29-17(21(32)33)12(8-36-20(16)29)7-28-4-2-11(3-5-28)14-6-24-10-35-14/h2-6,9-10,16,20H,7-8H2,1H3,(H3-,23,25,26,30,32,33)/p+1/b27-15-/t16-,20-/m1/s1
C22H20N7O6S2542.5673200
4589215

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H19N7O6S2/c1-34-27-15(13-9-37-22(23)25-13)18(30)26-16-19(31)29-17(21(32)33)12(8-36-20(16)29)7-28-4-2-11(3-5-28)14-6-24-10-35-14/h2-6,9-10,16,20H,7-8H2,1H3,(H3-,23,25,26,30,32,33)/b27-15-/t16-,20-/m1/s1
C22H19N7O6S2541.55962200
8134632

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H19N7O6S2/c1-34-27-15(13-9-37-22(23)25-13)18(30)26-16-19(31)29-17(21(32)33)12(8-36-20(16)29)7-28-4-2-11(3-5-28)14-6-24-10-35-14/h2-6,9-10,16,20H,7-8H2,1H3,(H3-,23,25,26,30,32,33)/p+1/b27-15-
C22H20N7O6S2542.5672100
8432324

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H19N7O6S2/c1-34-27-15(13-9-37-22(23)25-13)18(30)26-16-19(31)29-17(21(32)33)12(8-36-20(16)29)7-28-4-2-11(3-5-28)14-6-24-10-35-14/h2-6,9-10,16,20H,7-8H2,1H3,(H3-,23,25,26,30,32,33)/p+1/b27-15-/t16-,20-/m1/s1/i22+2
C2114CH20N7O6S2544.55952200
67160672

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H19N7O6S2/c1-34-27-15(13-9-37-22(23)25-13)18(30)26-16-19(31)29-17(21(32)33)12(8-36-20(16)29)7-28-4-2-11(3-5-28)14-6-24-10-35-14/h2-6,9-10,16,20H,7-8H2,1H3,(H3-,23,25,26,30,32,33)/t16-,20-/m1/s1
C22H19N7O6S2541.55962200
8432323

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H19N7O6S2/c1-34-27-15(13-9-37-22(23)25-13)18(30)26-16-19(31)29-17(21(32)33)12(8-36-20(16)29)7-28-4-2-11(3-5-28)14-6-24-10-35-14/h2-6,9-10,16,20H,7-8H2,1H3,(H3-,23,25,26,30,32,33)/b27-15-/t16-,20-/m1/s1/i22+2
C2114CH19N7O6S2543.55211200
8134631

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H19N7O6S2/c1-34-27-15(13-9-37-22(23)25-13)18(30)26-16-19(31)29-17(21(32)33)12(8-36-20(16)29)7-28-4-2-11(3-5-28)14-6-24-10-35-14/h2-6,9-10,16,20H,7-8H2,1H3,(H3-,23,25,26,30,32,33)/b27-15-
C22H19N7O6S2541.55961100

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