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 19 results

Search term: GIGFIWJRTMBSRP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
85064

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20-,21-/m0/s1
C21H26N2O2338.443324201554
504046

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3
C21H26N2O2338.4433171900
710157

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20-,21-/m1/s1
C21H26N2O2338.44331191554
812881

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/p+1/t19-,20-,21-/m0/s1
C21H27N2O2339.45074300
10254799

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19?,20-,21-/m0/s1
C21H26N2O2338.44333100
19973687

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20-,21+/m0/s1
C21H26N2O2338.44333202
1169876

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20-,21+/m1/s1
C21H26N2O2338.44332100
107448358

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20-,21-/m0/s1/i4D,6D,8D,9D/t6?,9?,19-,20-,21-
C21H22D4N2O2342.4682200
1169878

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20+,21-/m0/s1
C21H26N2O2338.44332100
5327462

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20+,21+/m1/s1
C21H26N2O2338.443342100
2869819

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/p+2
C21H28N2O2340.459221100
2987401

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/p+1
C21H27N2O2339.451281100
5327461

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/p+1/t19-,20+,21+/m1/s1
C21H27N2O2339.451281100
1169875

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/p+1/t19-,20-,21+/m1/s1
C21H27N2O2339.45071100
117033900

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20?,21?/m0/s1
C21H26N2O2338.44331100
1169877

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/p+1/t19-,20+,21-/m0/s1
C21H27N2O2339.45071100
74043651

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19?,20-,21+/m0/s1
C21H26N2O2338.44331100
76963422

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/p+1/t19-,20-,21-/m1/s1
C21H27N2O2339.45071200

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