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: UMGXLEJJKAWCHT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82058

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H16N6O12S2/c25-17(26)13(19-11-3-1-9(21(29)30)5-15(11)23(33)34)7-37-38-8-14(18(27)28)20-12-4-2-10(22(31)32)6-16(12)24(35)36/h1-6,13-14,19-20H,7-8H2,(H,25,26)(H,27,28)
C18H16N6O12S2572.4826141500
342050

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H16N6O12S2/c25-17(26)13(19-11-3-1-9(21(29)30)5-15(11)23(33)34)7-37-38-8-14(18(27)28)20-12-4-2-10(22(31)32)6-16(12)24(35)36/h1-6,13-14,19-20H,7-8H2,(H,25,26)(H,27,28)/t13-,14-/m0/s1
C18H16N6O12S2572.48267710
116333

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C18H16N6O12S2/c25-17(26)13(19-11-3-1-9(21(29)30)5-15(11)23(33)34)7-37-38-8-14(18(27)28)20-12-4-2-10(22(31)32)6-16(12)24(35)36/h1-6,13-14,19-20H,7-8H2,(H,25,26)(H,27,28)/t13-,14?/m0/s1/i17+2
C1714CH16N6O12S2574.47524400
64884603

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C18H16N6O12S2/c25-17(26)13(19-11-3-1-9(21(29)30)5-15(11)23(33)34)7-37-38-8-14(18(27)28)20-12-4-2-10(22(31)32)6-16(12)24(35)36/h1-6,13-14,19-20H,7-8H2,(H,25,26)(H,27,28)/i17+2
C1714CH16N6O12S2574.47521100

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