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 5 results

Search term: YSKGUEJFZJXOGS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11969147

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O4/c23-19-16(21(28)24-12-14-5-3-9-30-14)11-17-20(27(19)13-15-6-4-10-31-15)25-18-7-1-2-8-26(18)22(17)29/h1-3,5,7-9,11,15,23H,4,6,10,12-13H2,(H,24,28)
C22H21N5O4419.4332272000
2403398

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O4/c23-19-16(21(28)24-12-14-5-3-9-30-14)11-17-20(27(19)13-15-6-4-10-31-15)25-18-7-1-2-8-26(18)22(17)29/h1-3,5,7-9,11,15,23H,4,6,10,12-13H2,(H,24,28)/b23-19+
C22H21N5O4419.43326300
3939757

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O4/c23-19-16(21(28)24-12-14-5-3-9-30-14)11-17-20(27(19)13-15-6-4-10-31-15)25-18-7-1-2-8-26(18)22(17)29/h1-3,5,7-9,11,15,23H,4,6,10,12-13H2,(H,24,28)/p+1
C22H22N5O4420.44062100
5335005

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H21N5O4/c23-19-16(21(28)24-12-14-5-3-9-30-14)11-17-20(27(19)13-15-6-4-10-31-15)25-18-7-1-2-8-26(18)22(17)29/h1-3,5,7-9,11,15,23H,4,6,10,12-13H2,(H,24,28)/p+1/t15-/m1/s1
C22H22N5O4420.44062100
5335006

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H21N5O4/c23-19-16(21(28)24-12-14-5-3-9-30-14)11-17-20(27(19)13-15-6-4-10-31-15)25-18-7-1-2-8-26(18)22(17)29/h1-3,5,7-9,11,15,23H,4,6,10,12-13H2,(H,24,28)/p+1/t15-/m0/s1
C22H22N5O4420.44062100

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