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
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Found 16 results

Search term: AERBNCYCJBRYDG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
108921

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1
C18H39NO3317.50728719601
217614

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3
C18H39NO3317.50721325500
9067754

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17-,18-/m0/s1
C18H39NO3317.5072131600
9274310

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18+/m0/s1
C18H39NO3317.50727700
9719010

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17-,18+/m0/s1
C18H39NO3317.50726200
21238683

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m1/s1
C18H39NO3317.50726500
21233346

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/p+1/t16-,17+,18-/m0/s1
C18H40NO3318.51465400
9067753

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17-,18-/m1/s1
C18H39NO3317.50725400
13181818

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17-,18+/m1/s1/i15+1D2,16+1
C1613C2H37D2NO3321.50484400
57452182

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17?,18-/m0/s1
C18H39NO3317.507241500
9111385

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1/i15+1D2,16+1
C1613C2H37D2NO3321.50483100
9863014

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17-,18+/m1/s1
C18H39NO3317.50723200
9465075

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18+/m1/s1
C18H39NO3317.50723200
57568685

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16?,17-,18+/m1/s1/i15+1D2,16+1
C1613C2H37D2NO3321.50481100
78075922

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17-,18+/m1/s1/i15D2
C18H37D2NO3319.51951100

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