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 5 results

Search term: LAHDARPHRNSSKO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3021725

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H26N2O7/c1-4-5-6-14-9-19(27)30-20-12(2)16(8-7-15(14)20)29-13(3)21(28)23-10-17(24)22-11-18(25)26/h7-9,13H,4-6,10-11H2,1-3H3,(H,22,24)(H,23,28)(H,25,26)
C21H26N2O7418.44034191000
1387104

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H26N2O7/c1-4-5-6-14-9-19(27)30-20-12(2)16(8-7-15(14)20)29-13(3)21(28)23-10-17(24)22-11-18(25)26/h7-9,13H,4-6,10-11H2,1-3H3,(H,22,24)(H,23,28)(H,25,26)/t13-/m0/s1
C21H26N2O7418.44032100
1387106

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H26N2O7/c1-4-5-6-14-9-19(27)30-20-12(2)16(8-7-15(14)20)29-13(3)21(28)23-10-17(24)22-11-18(25)26/h7-9,13H,4-6,10-11H2,1-3H3,(H,22,24)(H,23,28)(H,25,26)/t13-/m1/s1
C21H26N2O7418.44032100
1387103

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H26N2O7/c1-4-5-6-14-9-19(27)30-20-12(2)16(8-7-15(14)20)29-13(3)21(28)23-10-17(24)22-11-18(25)26/h7-9,13H,4-6,10-11H2,1-3H3,(H,22,24)(H,23,28)(H,25,26)/p-1/t13-/m0/s1
C21H25N2O7417.43291100
1387105

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H26N2O7/c1-4-5-6-14-9-19(27)30-20-12(2)16(8-7-15(14)20)29-13(3)21(28)23-10-17(24)22-11-18(25)26/h7-9,13H,4-6,10-11H2,1-3H3,(H,22,24)(H,23,28)(H,25,26)/p-1/t13-/m1/s1
C21H25N2O7417.43291100

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