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 14 results

Search term: FUFVKLQESJNNAN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19952613

Charge

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14+,15+,16?;
C17H24BrNO3370.2814313500
6394

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1
C17H24BrNO3370.28136231800
8604643

Charge

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14+,15?,16?;
C17H24BrNO3370.2814122100
26366214

Charge

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14+,15-,16?;
C17H24BrNO3370.281410900
27524617

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14+,15+,16-;/m1./s1
C17H24BrNO3370.28143900
4642448

Charge

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14?,15?,16?;/m0./s1
C17H24BrNO3370.28142200
21249612

Charge

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14?,15+,16?;/m0./s1
C17H24BrNO3370.28142200
114642302

Charge

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14-,16?;/m1./s1
C17H24BrNO3370.28142200
32769769

Charge

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14?,15-,16?;/m1./s1
C17H24BrNO3370.28141100
34986067

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14+,15-,16-;/m0./s1
C17H24BrNO3370.28141100
73991261

Charge

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/i1D3;
C17H21D3BrNO3373.29981100
78433227

Charge

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14?,15?,16?;/m1./s1
C17H24BrNO3370.28141100
78433696

Charge

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14+,15?,16-;/m1./s1
C17H24BrNO3370.28141100

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