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: ROUPVEVEXKIBOB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2262715

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H30N4O2/c26-20(14-19-21(27)23-18-9-5-4-8-17(18)22-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17-19,22H,4-5,8-15H2,(H,23,27)
C21H30N4O2370.4885181000
1493877

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O2/c26-20(14-19-21(27)23-18-9-5-4-8-17(18)22-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17-19,22H,4-5,8-15H2,(H,23,27)/t17-,18+,19+/m1/s1
C21H30N4O2370.48852100
5030854

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O2/c26-20(14-19-21(27)23-18-9-5-4-8-17(18)22-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17-19,22H,4-5,8-15H2,(H,23,27)/t17-,18-,19-/m0/s1
C21H30N4O2370.48852100
10066530

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O2/c26-20(14-19-21(27)23-18-9-5-4-8-17(18)22-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17-19,22H,4-5,8-15H2,(H,23,27)/t17-,18+,19+/m0/s1
C21H30N4O2370.48852100
10066532

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O2/c26-20(14-19-21(27)23-18-9-5-4-8-17(18)22-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17-19,22H,4-5,8-15H2,(H,23,27)/t17-,18+,19-/m0/s1
C21H30N4O2370.48852100
10066534

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O2/c26-20(14-19-21(27)23-18-9-5-4-8-17(18)22-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17-19,22H,4-5,8-15H2,(H,23,27)/t17-,18-,19+/m0/s1
C21H30N4O2370.48852100
10066533

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O2/c26-20(14-19-21(27)23-18-9-5-4-8-17(18)22-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17-19,22H,4-5,8-15H2,(H,23,27)/p+2/t17-,18-,19+/m0/s1
C21H32N4O2372.50331100
10066531

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O2/c26-20(14-19-21(27)23-18-9-5-4-8-17(18)22-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17-19,22H,4-5,8-15H2,(H,23,27)/p+2/t17-,18+,19-/m0/s1
C21H32N4O2372.50331100
10066529

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O2/c26-20(14-19-21(27)23-18-9-5-4-8-17(18)22-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17-19,22H,4-5,8-15H2,(H,23,27)/p+2/t17-,18+,19+/m0/s1
C21H32N4O2372.50331100
1493876

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O2/c26-20(14-19-21(27)23-18-9-5-4-8-17(18)22-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17-19,22H,4-5,8-15H2,(H,23,27)/p+2/t17-,18+,19+/m1/s1
C21H32N4O2372.50331100
5030853

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30N4O2/c26-20(14-19-21(27)23-18-9-5-4-8-17(18)22-19)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-3,6-7,17-19,22H,4-5,8-15H2,(H,23,27)/p+2/t17-,18-,19-/m0/s1
C21H32N4O2372.50331100

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