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: LSLYOANBFKQKPT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3226

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
C17H21NO4303.3529811133145441
599923

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1
C17H21NO4303.3529111300
599924

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m0/s1
C17H21NO4303.35298700
581050

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17-/m1/s1
C17H21NO4303.35298500
599922

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17-/m0/s1
C17H21NO4303.35298800
5296650

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/p+1/t11-,17+/m1/s1
C17H22NO4304.360882100
25035083

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11?,17-/m0/s1
C17H21NO4303.35292200
67868774

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17?/m0/s1
C17H21NO4303.35292100
78057751

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/i1D3,6D2,11D
C17H15D6NO4309.38991100
95700074

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/p-1
C17H20NO4302.34551100
114392952

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17-/m0/s1/i1D3,6D2,11D
C17H15D6NO4309.38991100
5296651

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/p+1/t11-,17+/m0/s1
C17H22NO4304.360881100
5294322

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/p+1/t11-,17-/m1/s1
C17H22NO4304.360881100
5296649

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/p+1/t11-,17-/m0/s1
C17H22NO4304.360881100

Advertisement