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 8 results

Search term: CITPXCNSMZMNIW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
549443

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3
C22H30N2O3370.4852132200
20056090

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3/t17-,20-,21-,22-/m1/s1
C22H30N2O3370.48525309
5036909

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3/t17-,20+,21+,22-/m0/s1
C22H30N2O3370.48523300
4478803

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3/t17?,20-,21-,22?/m1/s1
C22H30N2O3370.48522200
10044700

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3/t17-,20+,21-,22+/m1/s1
C22H30N2O3370.48522100
10044698

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3/t17-,20+,21+,22+/m1/s1
C22H30N2O3370.48522100
10044699

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3/p+1/t17-,20+,21-,22+/m1/s1
C22H31N2O3371.49261100
10044697

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3/p+1/t17-,20+,21+,22+/m1/s1
C22H31N2O3371.49261100

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