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 3 results

Search term: XVEFUQSJWHPIAS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32700874

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C25H31N5O4.C4H4O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2;5-3(6)1-2-4(7)8/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t16-,17-;/m0./s1
C29H35N5O8581.6169131000
38000303

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H31N5O4.C4H4O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2;5-3(6)1-2-4(7)8/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
C29H35N5O8581.61695300
123248265

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H31N5O4.C4H4O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2;5-3(6)1-2-4(7)8/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)
C29H35N5O8581.61691100

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