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: QPUCCRKMCAEIND (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8966885

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H26N4O10S/c20-9(18(30)31)1-2-14(25)23-11(17(29)22-6-15(26)27)7-34-13-5-8(3-10(21)19(32)33)4-12(24)16(13)28/h4-5,9-11,24,28H,1-3,6-7,20-21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)(H,32,33)/t9-,10-,11-/m0/s1
C19H26N4O10S502.49554300
9780541

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C19H26N4O10S/c20-9(18(30)31)1-2-14(25)23-11(17(29)22-6-15(26)27)7-34-13-5-8(3-10(21)19(32)33)4-12(24)16(13)28/h4-5,9-11,24,28H,1-3,6-7,20-21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)(H,32,33)
C19H26N4O10S502.49552100
8895579

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C19H26N4O10S/c20-9(18(30)31)1-2-14(25)23-11(17(29)22-6-15(26)27)7-34-13-5-8(3-10(21)19(32)33)4-12(24)16(13)28/h4-5,9-11,24,28H,1-3,6-7,20-21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)(H,32,33)/t9-,10+,11-/m0/s1
C19H26N4O10S502.49552100
19980630

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C19H26N4O10S/c20-9(18(30)31)1-2-14(25)23-11(17(29)22-6-15(26)27)7-34-13-5-8(3-10(21)19(32)33)4-12(24)16(13)28/h4-5,9-11,24,28H,1-3,6-7,20-21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)(H,32,33)/t9-,10?,11-/m0/s1
C19H26N4O10S502.49551100
74857886

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C19H26N4O10S/c20-9(18(30)31)1-2-14(25)23-11(17(29)22-6-15(26)27)7-34-13-5-8(3-10(21)19(32)33)4-12(24)16(13)28/h4-5,9-11,24,28H,1-3,6-7,20-21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)(H,32,33)/t9-,10-,11?/m0/s1
C19H26N4O10S502.49551100

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