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: HCTHYJDIUPUJCA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5519958

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H25N5O2/c1-14(2)28-8-7-16-18(10-24)22(27)23(12-25,13-26)21(19(16)11-28)17-9-15(29-3)5-6-20(17)30-4/h5-7,9,14,18-19,21,27H,8,11H2,1-4H3/b27-22+/t18?,19-,21-/m0/s1
C23H25N5O2403.47692100
5519960

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H25N5O2/c1-14(2)28-8-7-16-18(10-24)22(27)23(12-25,13-26)21(19(16)11-28)17-9-15(29-3)5-6-20(17)30-4/h5-7,9,14,18-19,21,27H,8,11H2,1-4H3/b27-22+/t18?,19-,21+/m1/s1
C23H25N5O2403.47692100
10074998

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H25N5O2/c1-14(2)28-8-7-16-18(10-24)22(27)23(12-25,13-26)21(19(16)11-28)17-9-15(29-3)5-6-20(17)30-4/h5-7,9,14,18-19,21,27H,8,11H2,1-4H3/b27-22+/t18?,19-,21+/m0/s1
C23H25N5O2403.47692100
5519957

Charge

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H25N5O2/c1-14(2)28-8-7-16-18(10-24)22(27)23(12-25,13-26)21(19(16)11-28)17-9-15(29-3)5-6-20(17)30-4/h5-7,9,14,18-19,21,27H,8,11H2,1-4H3/p+1/b27-22+/t18?,19-,21-/m0/s1
C23H26N5O2404.48431100
10074997

Charge

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H25N5O2/c1-14(2)28-8-7-16-18(10-24)22(27)23(12-25,13-26)21(19(16)11-28)17-9-15(29-3)5-6-20(17)30-4/h5-7,9,14,18-19,21,27H,8,11H2,1-4H3/p+1/b27-22+/t18?,19-,21+/m0/s1
C23H26N5O2404.48431100
5519959

Charge

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H25N5O2/c1-14(2)28-8-7-16-18(10-24)22(27)23(12-25,13-26)21(19(16)11-28)17-9-15(29-3)5-6-20(17)30-4/h5-7,9,14,18-19,21,27H,8,11H2,1-4H3/p+1/b27-22+/t18?,19-,21+/m1/s1
C23H26N5O2404.48431100

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