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: WZBMPPVYPMMRNT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3785693

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3
C17H22O3274.35478251700
21208980

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14-,17+/m0/s1
C17H22O3274.3548161300
21208776

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14+,17+/m1/s1
C17H22O3274.35485300
21208981

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14+,17+/m0/s1
C17H22O3274.35484400
60600514

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14-,17+/m1/s1
C17H22O3274.35484300
1408375

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14-,17-/m1/s1
C17H22O3274.35483200
24816197

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12?,14?,17-/m0/s1
C17H22O3274.35483300
168166

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12?,14?,17-/m1/s1
C17H22O3274.35483400
607540

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14-,17-/m0/s1
C17H22O3274.35483200
793083

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14+,17-/m0/s1
C17H22O3274.35482100
1408374

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14+,17-/m1/s1
C17H22O3274.35482100
95532394

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14?,17+/m0/s1
C17H22O3274.35481100
129310520

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14?,17-/m1/s1
C17H22O3274.35481100

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