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 17 results

Search term: JBBNFGYRYNBDIH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4451359

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20+,23+,24-,25+/m0/s1
C25H34O6430.53386211700
111230

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20?,23+,24-,25+/m0/s1
C25H34O6430.53399500
366526

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)
C25H34O6430.53396500
9319588

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20-,23+,24-,25+/m0/s1
C25H34O6430.53392100
10047381

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19+,20-,23+,24+,25-/m1/s1
C25H34O6430.53392100
10047383

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18-,19+,20-,23+,24+,25-/m1/s1
C25H34O6430.53392100
10047387

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18-,19-,20-,23+,24+,25-/m1/s1
C25H34O6430.53392100
10047385

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20-,23+,24+,25-/m1/s1
C25H34O6430.53392100
10047386

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/p-1/t17-,18-,19-,20-,23+,24+,25-/m1/s1
C25H33O6429.52651100
17461702

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17?,18?,19?,20?,23?,24-,25+/m0/s1
C25H34O6430.53391100
21470456

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17?,18-,19?,20-,23?,24+,25-/m1/s1
C25H34O6430.53391100
58817896

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20?,23+,24-,25?/m0/s1
C25H34O6430.53391100
114547209

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20+,23+,24-,25-/m0/s1
C25H34O6430.53391100
10047384

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/p-1/t17-,18+,19-,20-,23+,24+,25-/m1/s1
C25H33O6429.52651100
10047382

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/p-1/t17-,18-,19+,20-,23+,24+,25-/m1/s1
C25H33O6429.52651100
10047380

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/p-1/t17-,18+,19+,20-,23+,24+,25-/m1/s1
C25H33O6429.52651100

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