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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 22 results

Search term: SOODLZHDDSGRKL (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10393397

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17-,18+/m1/s1
C18H27NO6353.4101302200
4932329

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17+,18+/m1/s1
C18H27NO6353.410110800
3503247

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3
C18H27NO6353.410085600
17462812

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12?,13-,14+,17?,18?/m0/s1
C18H27NO6353.41015100
106367

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13-,14-,17-,18+/m1/s1
C18H27NO6353.41014300
58803643

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12?,13-,14+,17+,18-/m0/s1
C18H27NO6353.41014400
62307311

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14+,17+,18-/m1/s1
C18H27NO6353.41012200
1379476

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13-,14-,17-,18+/m0/s1
C18H27NO6353.41012100
10048447

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14+,17-,18+/m0/s1
C18H27NO6353.41012100
10048445

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13-,14-,17+,18-/m1/s1
C18H27NO6353.41012100
26641514

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13?,14-,17-,18+/m1/s1
C18H27NO6353.41012300
58783319

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17-,18+/m1/s1/i7D2,9D2
C18H23D4NO6357.43472200
78222702

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17-,18+/m0/s1
C18H27NO6353.41012100
107443349

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12?,13-,14+,17+,18-/m0/s1/i7D2,9D2
C18H23D4NO6357.43471200
111312359

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12?,13-,14+,17+,18-/m1/s1
C18H27NO6353.41011100
113608489

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13-,14+,17+,18-/m0/s1
C18H27NO6353.41011100
114815332

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14+,17-,18+/m1/s1
C18H27NO6353.41011100
10048446

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/p+1/t12-,13-,14+,17-,18+/m0/s1
C18H28NO6354.41751100
10048444

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/p+1/t12-,13+,14-,17+,18-/m1/s1
C18H28NO6354.41751100
62366231

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13-,14+,17-,18+/m0/s1
C18H27NO6353.41011100
12

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