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 4 results

Search term: JCKVLCSMPHMFGK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
25034011

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C35H43BrN4O6/c1-20-10-15-31(42)37-23(4)35(45)40(5)30(18-27-26-8-6-7-9-28(26)38-33(27)36)34(44)39-29(24-11-13-25(41)14-12-24)19-32(43)46-22(3)17-21(2)16-20/h6-9,11-14,16,21-23,29-30,38,41H,10,15,17-19H2,1-5H3,(H,37,42)(H,39,44)/b20-16+/t21-,22-,23-,29+,30+/m0/s1
C35H43BrN4O6695.64315500
2709196

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C35H43BrN4O6/c1-20-10-15-31(42)37-23(4)35(45)40(5)30(18-27-26-8-6-7-9-28(26)38-33(27)36)34(44)39-29(24-11-13-25(41)14-12-24)19-32(43)46-22(3)17-21(2)16-20/h6-9,11-14,16,21-23,29-30,38,41H,10,15,17-19H2,1-5H3,(H,37,42)(H,39,44)
C35H43BrN4O6695.6431199999982100
4533400

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C35H43BrN4O6/c1-20-10-15-31(42)37-23(4)35(45)40(5)30(18-27-26-8-6-7-9-28(26)38-33(27)36)34(44)39-29(24-11-13-25(41)14-12-24)19-32(43)46-22(3)17-21(2)16-20/h6-9,11-14,16,21-23,29-30,38,41H,10,15,17-19H2,1-5H3,(H,37,42)(H,39,44)/b20-16+/t21?,22?,23?,29-,30?/m1/s1
C35H43BrN4O6695.64312200
58842211

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C35H43BrN4O6/c1-20-10-15-31(42)37-23(4)35(45)40(5)30(18-27-26-8-6-7-9-28(26)38-33(27)36)34(44)39-29(24-11-13-25(41)14-12-24)19-32(43)46-22(3)17-21(2)16-20/h6-9,11-14,16,21-23,29-30,38,41H,10,15,17-19H2,1-5H3,(H,37,42)(H,39,44)/b20-16+/t21-,22-,23-,29-,30?/m1/s1
C35H43BrN4O6695.64311100

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