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: WCOKTWDQJJQTMW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2393894

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H28N6O4/c1-13-7-5-6-8-15(13)30-12-14(27)11-26-16-17(25(4)20(29)23-18(16)28)22-19(26)21-9-10-24(2)3/h5-8,14,27H,9-12H2,1-4H3,(H,21,22)(H,23,28,29)
C20H28N6O4416.47412211300
850369

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H28N6O4/c1-13-7-5-6-8-15(13)30-12-14(27)11-26-16-17(25(4)20(29)23-18(16)28)22-19(26)21-9-10-24(2)3/h5-8,14,27H,9-12H2,1-4H3,(H,21,22)(H,23,28,29)/t14-/m1/s1
C20H28N6O4416.47412100
850372

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H28N6O4/c1-13-7-5-6-8-15(13)30-12-14(27)11-26-16-17(25(4)20(29)23-18(16)28)22-19(26)21-9-10-24(2)3/h5-8,14,27H,9-12H2,1-4H3,(H,21,22)(H,23,28,29)/t14-/m0/s1
C20H28N6O4416.47412100
5455968

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H28N6O4/c1-13-7-5-6-8-15(13)30-12-14(27)11-26-16-17(25(4)20(29)23-18(16)28)22-19(26)21-9-10-24(2)3/h5-8,14,27H,9-12H2,1-4H3,(H,21,22)(H,23,28,29)/p+1/t14-/m1/s1
C20H29N6O4417.48151100
5455969

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H28N6O4/c1-13-7-5-6-8-15(13)30-12-14(27)11-26-16-17(25(4)20(29)23-18(16)28)22-19(26)21-9-10-24(2)3/h5-8,14,27H,9-12H2,1-4H3,(H,21,22)(H,23,28,29)/p+1/t14-/m0/s1
C20H29N6O4417.48151100

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