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 6 results

Search term: QKAJEJWWIMVWQA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4679212

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H27BrN4O3/c31-22-11-12-24-23(17-22)28(21-9-5-2-6-10-21)29(30(37)32-24)25-18-26(20-7-3-1-4-8-20)35(33-25)27(36)19-34-13-15-38-16-14-34/h1-12,17,26,33H,13-16,18-19H2/b29-25+
C30H27BrN4O3571.46443100
5177923

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C30H27BrN4O3/c31-22-11-12-24-23(17-22)28(21-9-5-2-6-10-21)29(30(37)32-24)25-18-26(20-7-3-1-4-8-20)35(33-25)27(36)19-34-13-15-38-16-14-34/h1-12,17,26,33H,13-16,18-19H2/t26-/m1/s1
C30H27BrN4O3571.46443200
5198978

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H27BrN4O3/c31-22-11-12-24-23(17-22)28(21-9-5-2-6-10-21)29(30(37)32-24)25-18-26(20-7-3-1-4-8-20)35(33-25)27(36)19-34-13-15-38-16-14-34/h1-12,17,26,33H,13-16,18-19H2
C30H27BrN4O3571.46443200
5338627

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C30H27BrN4O3/c31-22-11-12-24-23(17-22)28(21-9-5-2-6-10-21)29(30(37)32-24)25-18-26(20-7-3-1-4-8-20)35(33-25)27(36)19-34-13-15-38-16-14-34/h1-12,17,26,33H,13-16,18-19H2/t26-/m0/s1
C30H27BrN4O3571.46442100
5338625

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C30H27BrN4O3/c31-22-11-12-24-23(17-22)28(21-9-5-2-6-10-21)29(30(37)32-24)25-18-26(20-7-3-1-4-8-20)35(33-25)27(36)19-34-13-15-38-16-14-34/h1-12,17,26,33H,13-16,18-19H2/p+1/t26-/m1/s1
C30H28BrN4O3572.47181100
5338626

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C30H27BrN4O3/c31-22-11-12-24-23(17-22)28(21-9-5-2-6-10-21)29(30(37)32-24)25-18-26(20-7-3-1-4-8-20)35(33-25)27(36)19-34-13-15-38-16-14-34/h1-12,17,26,33H,13-16,18-19H2/p+1/t26-/m0/s1
C30H28BrN4O3572.47181100

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