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: XGSNINCZEUADQH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11968928

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C24H29N5O3/c1-15-7-5-11-28-21(15)27-22-19(24(28)31)13-18(23(30)26-14-17-10-6-12-32-17)20(25)29(22)16-8-3-2-4-9-16/h5,7,11,13,16-17,25H,2-4,6,8-10,12,14H2,1H3,(H,26,30)
C24H29N5O3435.5188231700
2403464

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C24H29N5O3/c1-15-7-5-11-28-21(15)27-22-19(24(28)31)13-18(23(30)26-14-17-10-6-12-32-17)20(25)29(22)16-8-3-2-4-9-16/h5,7,11,13,16-17,25H,2-4,6,8-10,12,14H2,1H3,(H,26,30)/b25-20+
C24H29N5O3435.51886300
4408875

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C24H29N5O3/c1-15-7-5-11-28-21(15)27-22-19(24(28)31)13-18(23(30)26-14-17-10-6-12-32-17)20(25)29(22)16-8-3-2-4-9-16/h5,7,11,13,16-17,25H,2-4,6,8-10,12,14H2,1H3,(H,26,30)/p+1
C24H30N5O3436.52672100
5335135

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C24H29N5O3/c1-15-7-5-11-28-21(15)27-22-19(24(28)31)13-18(23(30)26-14-17-10-6-12-32-17)20(25)29(22)16-8-3-2-4-9-16/h5,7,11,13,16-17,25H,2-4,6,8-10,12,14H2,1H3,(H,26,30)/p+1/t17-/m1/s1
C24H30N5O3436.52622100
5335136

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C24H29N5O3/c1-15-7-5-11-28-21(15)27-22-19(24(28)31)13-18(23(30)26-14-17-10-6-12-32-17)20(25)29(22)16-8-3-2-4-9-16/h5,7,11,13,16-17,25H,2-4,6,8-10,12,14H2,1H3,(H,26,30)/p+1/t17-/m0/s1
C24H30N5O3436.52622100

Advertisement