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 28 results

Search term: NPDSHTNEKLQQIJ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4472255

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1
C18H32O3296.4449525520
4446071

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+
C18H32O3296.44488374600
4446072

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+
C18H32O3296.444883345180
17220742

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m0/s1
C18H32O3296.4449242500
4472254

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+/t17-/m1/s1
C18H32O3296.44488131800
17220721

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1/i6D,8D,14D,17D
C18H28D4O3300.4695121400
1851

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)
C18H32O3296.44498503
95719341

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6u,14-11+
C18H32O3296.444971500
21467270

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11-
C18H32O3296.44495500
97091869

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1
13C18H32O3314.31274400
78430886

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6u,14-11+/t17-/m1/s1
C18H32O3296.44494400
5042476

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/t17-/m1/s1
C18H32O3296.44494200
21230852

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/t17-/m0/s1
C18H32O3296.44492100
95601539

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6u,14-11+/t17-/m0/s1
C18H32O3296.44492200
35467141

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+/t17-/m0/s1
C18H32O3296.44492100
57450933

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11-
C18H32O3296.44492200
58827277

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/p-1/b8-6-,14-11+
C18H31O3295.43751100
68057638

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11u/t17-/m1/s1
C18H32O3296.44491100
113368468

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11u
C18H32O3296.44491100
12

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