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: XPRHIJVZZLXCCU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2223047

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H30N4O4/c1-2-29-17-6-4-16(5-7-17)25-19(26)14-18(21(25)28)23-10-3-11-24-12-8-15(9-13-24)20(22)27/h4-7,15,18,23H,2-3,8-14H2,1H3,(H2,22,27)
C21H30N4O4402.4873231800
5576133

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H30N4O4/c1-2-29-17-6-4-16(5-7-17)25-19(26)14-18(21(25)28)23-10-3-11-24-12-8-15(9-13-24)20(22)27/h4-7,15,18,23H,2-3,8-14H2,1H3,(H2,22,27)/t18-/m0/s1
C21H30N4O4402.48732100
5576135

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H30N4O4/c1-2-29-17-6-4-16(5-7-17)25-19(26)14-18(21(25)28)23-10-3-11-24-12-8-15(9-13-24)20(22)27/h4-7,15,18,23H,2-3,8-14H2,1H3,(H2,22,27)/t18-/m1/s1
C21H30N4O4402.48732100
5576134

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H30N4O4/c1-2-29-17-6-4-16(5-7-17)25-19(26)14-18(21(25)28)23-10-3-11-24-12-8-15(9-13-24)20(22)27/h4-7,15,18,23H,2-3,8-14H2,1H3,(H2,22,27)/p+2/t18-/m1/s1
C21H32N4O4404.50211100
5576132

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H30N4O4/c1-2-29-17-6-4-16(5-7-17)25-19(26)14-18(21(25)28)23-10-3-11-24-12-8-15(9-13-24)20(22)27/h4-7,15,18,23H,2-3,8-14H2,1H3,(H2,22,27)/p+2/t18-/m0/s1
C21H32N4O4404.50211100

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