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 13 results

Search term: KRUUBWXADMDQSI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9727574

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13-,14+,15-,18-/m1/s1
C18H21N5O5387.3898252200
26324192

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13-,14+,15-,18+/m1/s1
C18H21N5O5387.389810700
3874164

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)
C18H21N5O5387.38989800
23977363

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11?,13-,14?,15?,18-/m1/s1
C18H21N5O5387.38983200
62575118

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13+,14+,15+,18+/m0/s1
C18H21N5O5387.38982200
62575119

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13+,14+,15-,18-/m0/s1
C18H21N5O5387.38982200
62575123

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13+,14-,15-,18+/m0/s1
C18H21N5O5387.38982200
62575124

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13-,14-,15+,18-/m1/s1
C18H21N5O5387.38982200
62575132

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13+,14+,15-,18-/m1/s1
C18H21N5O5387.38982200
62575133

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13+,14-,15+,18+/m0/s1
C18H21N5O5387.38982200
113618795

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11?,13-,14-,15?,18+/m1/s1
C18H21N5O5387.38981100
29788636

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11?,13-,14?,15?,18+/m1/s1
C18H21N5O5387.38981100
62383723

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13+,14+,15+,18-/m0/s1
C18H21N5O5387.38981100

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