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 8 results

Search term: XKRMLBJLSDIWTC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
18641212

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H36O7/c1-5-25(3,4)24(30)32-20-11-16(23(28)29)10-15-7-6-14(2)19(22(15)20)9-8-18-12-17(26)13-21(27)31-18/h6-7,10,14,16-20,22,26H,5,8-9,11-13H2,1-4H3,(H,28,29)/t14-,16-,17+,18+,19-,20-,22-/m0/s1
C25H36O7448.5491141600
48059046

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C25H36O7/c1-5-25(3,4)24(30)32-20-11-16(23(28)29)10-15-7-6-14(2)19(22(15)20)9-8-18-12-17(26)13-21(27)31-18/h6-7,10,14,16-20,22,26H,5,8-9,11-13H2,1-4H3,(H,28,29)/t14-,16-,17+,18+,19-,20-,22-/m0/s1/i3D3,4D3
C25H30D6O7454.58615500
57426495

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C25H36O7/c1-5-25(3,4)24(30)32-20-11-16(23(28)29)10-15-7-6-14(2)19(22(15)20)9-8-18-12-17(26)13-21(27)31-18/h6-7,10,14,16-20,22,26H,5,8-9,11-13H2,1-4H3,(H,28,29)/t14-,16?,17?,18+,19-,20?,22?/m0/s1
C25H36O7448.54911100
78076070

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C25H36O7/c1-5-25(3,4)24(30)32-20-11-16(23(28)29)10-15-7-6-14(2)19(22(15)20)9-8-18-12-17(26)13-21(27)31-18/h6-7,10,14,16-20,22,26H,5,8-9,11-13H2,1-4H3,(H,28,29)/t14-,16?,17+,18+,19-,20-,22-/m1/s1/i3D3,4D3
C25H30D6O7454.58611100
78272497

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H36O7/c1-5-25(3,4)24(30)32-20-11-16(23(28)29)10-15-7-6-14(2)19(22(15)20)9-8-18-12-17(26)13-21(27)31-18/h6-7,10,14,16-20,22,26H,5,8-9,11-13H2,1-4H3,(H,28,29)/t14-,16?,17+,18+,19-,20-,22-/m1/s1
C25H36O7448.54911100
111308006

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H36O7/c1-5-25(3,4)24(30)32-20-11-16(23(28)29)10-15-7-6-14(2)19(22(15)20)9-8-18-12-17(26)13-21(27)31-18/h6-7,10,14,16-20,22,26H,5,8-9,11-13H2,1-4H3,(H,28,29)/t14-,16-,17+,18+,19-,20-,22-/m1/s1
C25H36O7448.54911100
29789015

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C25H36O7/c1-5-25(3,4)24(30)32-20-11-16(23(28)29)10-15-7-6-14(2)19(22(15)20)9-8-18-12-17(26)13-21(27)31-18/h6-7,10,14,16-20,22,26H,5,8-9,11-13H2,1-4H3,(H,28,29)/t14-,16?,17?,18+,19-,20?,22-/m0/s1
C25H36O7448.54911100

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