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 18 results

Search term: VJILEYKNALCDDV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83970

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1
C17H22O3274.3548585501
191091

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)
C17H22O3274.3548121800
28945024

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14?,16-,17+/m1/s1
C17H22O3274.35486500
2701784

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/p-1
C17H21O3273.346843100
5422535

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m0/s1
C17H22O3274.35483200
584116

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16+,17+/m1/s1
C17H22O3274.35482100
745432

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17-/m0/s1
C17H22O3274.35482100
57264318

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14?,16-,17?/m1/s1
C17H22O3274.35482100
10044585

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16+,17-/m1/s1
C17H22O3274.35482100
10044587

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17-/m1/s1
C17H22O3274.35482100
10044588

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/p-1/t14-,16-,17+/m1/s1
C17H21O3273.34741100
10044586

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/p-1/t14-,16-,17-/m1/s1
C17H21O3273.34741100
58817764

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16?,17+/m1/s1
C17H22O3274.35481100
128926242

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16+,17-/m0/s1
C17H22O3274.35481100
34018131

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17?/m1/s1
C17H22O3274.35481100
10044584

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/p-1/t14-,16+,17-/m1/s1
C17H21O3273.34741100
5294552

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/p-1/t14-,16-,17-/m0/s1
C17H21O3273.346841100
5323079

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/p-1/t14-,16+,17+/m1/s1
C17H21O3273.346841100

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