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: XVCYESGSBIEXAS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
112424

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C17H27N7O6/c1-7-11(15(27)28)23-14(24-12(7)19)8(5-10(18)25)21-6-9(13(20)26)22-16(29)30-17(2,3)4/h8-9,21H,5-6H2,1-4H3,(H2,18,25)(H2,20,26)(H,22,29)(H,27,28)(H2,19,23,24)/t8-,9?/m0/s1
C17H27N7O6425.43966500
28562010

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H27N7O6/c1-7-11(15(27)28)23-14(24-12(7)19)8(5-10(18)25)21-6-9(13(20)26)22-16(29)30-17(2,3)4/h8-9,21H,5-6H2,1-4H3,(H2,18,25)(H2,20,26)(H,22,29)(H,27,28)(H2,19,23,24)
C17H27N7O6425.43964300
9048868

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H27N7O6/c1-7-11(15(27)28)23-14(24-12(7)19)8(5-10(18)25)21-6-9(13(20)26)22-16(29)30-17(2,3)4/h8-9,21H,5-6H2,1-4H3,(H2,18,25)(H2,20,26)(H,22,29)(H,27,28)(H2,19,23,24)/t8-,9-/m0/s1
C17H27N7O6425.43963200

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