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 11 results

Search term: VYOQBYCIIJYKJA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17279008

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)/t6-,7-,9+,10+,12+,13+,16+,17-/m1/s1
C17H22ClN9O2419.868716232626
8020727

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)/t6-,7+,9+,10-,12+,13+,16+,17?/m0/s1
C17H22ClN9O2419.86874300
10243332

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)/t6-,7+,9+,10-,12+,13-,16+,17-/m1/s1
C17H22ClN9O2419.86873300
23345487

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)/p+2/t6-,7-,9+,10+,12+,13+,16+,17-/m1/s1
C17H24ClN9O2421.88352200
28289087

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)/p+3/t6-,7-,9+,10+,12+,13+,16+,17-/m1/s1
C17H25ClN9O2422.89091100
74045925

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)/t6-,7+,9?,10-,12+,13-,16+,17?/m1/s1
C17H22ClN9O2419.86871100
74056534

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)/t6-,7?,9?,10-,12?,13-,16+,17?/m0/s1
C17H22ClN9O2419.86871100
74056535

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)/t6-,7?,9?,10-,12?,13-,16+,17-/m0/s1
C17H22ClN9O2419.86871100
77411640

Charge

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)/p+2/t6-,7-,9?,10?,12?,13+,16?,17?/m1/s1
C17H24ClN9O2421.88351100
95641189

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)
C17H22ClN9O2419.86871100
10473802

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)/t6?,7-,9-,10+,12-,13-,16-,17?/m1/s1
C17H22ClN9O2419.86871100

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