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: XHHBEDPFSNICRL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
20129535

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H22N6O7/c1-37-14-4-2-3-11-18(14)21(22-19-12(27(36)32-22)5-15-24(20(11)19)39-10-38-15)31-25-23-26(29-8-28-25)33(9-30-23)17-6-13(35)16(7-34)40-17/h2-5,8-9,13,16-17,34-35H,6-7,10H2,1H3,(H,32,36)(H,28,29,31)/t13-,16+,17+/m0/s1
C27H22N6O7542.4996131100
4589096

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C27H22N6O7/c1-37-14-4-2-3-11-18(14)21(22-19-12(27(36)32-22)5-15-24(20(11)19)39-10-38-15)31-25-23-26(29-8-28-25)33(9-30-23)17-6-13(35)16(7-34)40-17/h2-5,8-9,13,16-17,34-35H,6-7,10H2,1H3,(H,32,36)(H,28,29,31)
C27H22N6O7542.49965800
82964772

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H22N6O7/c1-37-14-4-2-3-11-18(14)21(22-19-12(27(36)32-22)5-15-24(20(11)19)39-10-38-15)31-25-23-26(29-8-28-25)33(9-30-23)17-6-13(35)16(7-34)40-17/h2-5,8-9,13,16-17,34-35H,6-7,10H2,1H3,(H,32,36)(H,28,29,31)/t13-,16+,17+/m1/s1
C27H22N6O7542.49962100
113609028

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H22N6O7/c1-37-14-4-2-3-11-18(14)21(22-19-12(27(36)32-22)5-15-24(20(11)19)39-10-38-15)31-25-23-26(29-8-28-25)33(9-30-23)17-6-13(35)16(7-34)40-17/h2-5,8-9,13,16-17,34-35H,6-7,10H2,1H3,(H,32,36)(H,28,29,31)/t13-,16+,17-/m0/s1
C27H22N6O7542.49961100
114642715

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H22N6O7/c1-37-14-4-2-3-11-18(14)21(22-19-12(27(36)32-22)5-15-24(20(11)19)39-10-38-15)31-25-23-26(29-8-28-25)33(9-30-23)17-6-13(35)16(7-34)40-17/h2-5,8-9,13,16-17,34-35H,6-7,10H2,1H3,(H,32,36)(H,28,29,31)/t13-,16-,17-/m1/s1
C27H22N6O7542.49961100
57643581

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H22N6O7/c1-37-14-4-2-3-11-18(14)21(22-19-12(27(36)32-22)5-15-24(20(11)19)39-10-38-15)31-25-23-26(29-8-28-25)33(9-30-23)17-6-13(35)16(7-34)40-17/h2-5,8-9,13,16-17,34-35H,6-7,10H2,1H3,(H,32,36)(H,28,29,31)/t13-,16-,17-/m0/s1
C27H22N6O7542.49961100

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