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: BSSSHMYZINARDJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4589558

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C23H21N7O7/c1-10-9-30(21(35)16(10)14-8-25-18-17(26-14)20(34)29-23(24)28-18)12-4-2-11(3-5-12)19(33)27-13(22(36)37)6-7-15(31)32/h2-5,8-9,13,26H,6-7H2,1H3,(H,27,33)(H,31,32)(H,36,37)(H3,24,28,29,34)/b16-14+/t13-/m0/s1
C23H21N7O7507.45557600
115284498

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C23H21N7O7/c1-10-9-30(21(35)16(10)14-8-25-18-17(26-14)20(34)29-23(24)28-18)12-4-2-11(3-5-12)19(33)27-13(22(36)37)6-7-15(31)32/h2-5,8-9,13,26H,6-7H2,1H3,(H,27,33)(H,31,32)(H,36,37)(H3,24,28,29,34)/t13-/m0/s1
C23H21N7O7507.45552200
64884470

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C23H21N7O7/c1-10-9-30(21(35)16(10)14-8-25-18-17(26-14)20(34)29-23(24)28-18)12-4-2-11(3-5-12)19(33)27-13(22(36)37)6-7-15(31)32/h2-5,8-9,13,26H,6-7H2,1H3,(H,27,33)(H,31,32)(H,36,37)(H3,24,28,29,34)/b16-14+
C23H21N7O7507.45551100

Advertisement