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 9 results

Search term: NQZGEXXWEDHYJR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2189152

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H22N2O8/c25-19(26)9-7-15(22(29)30)23-21(28)16(24-20(27)14-4-2-1-3-5-14)10-13-6-8-17-18(11-13)32-12-31-17/h1-6,8,11,15-16H,7,9-10,12H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)
C22H22N2O8442.41868131000
1711026

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O8/c25-19(26)9-7-15(22(29)30)23-21(28)16(24-20(27)14-4-2-1-3-5-14)10-13-6-8-17-18(11-13)32-12-31-17/h1-6,8,11,15-16H,7,9-10,12H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t15-,16-/m0/s1
C22H22N2O8442.41872100
1711028

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O8/c25-19(26)9-7-15(22(29)30)23-21(28)16(24-20(27)14-4-2-1-3-5-14)10-13-6-8-17-18(11-13)32-12-31-17/h1-6,8,11,15-16H,7,9-10,12H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t15-,16+/m0/s1
C22H22N2O8442.41872100
1711030

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O8/c25-19(26)9-7-15(22(29)30)23-21(28)16(24-20(27)14-4-2-1-3-5-14)10-13-6-8-17-18(11-13)32-12-31-17/h1-6,8,11,15-16H,7,9-10,12H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t15-,16+/m1/s1
C22H22N2O8442.41872100
1711032

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O8/c25-19(26)9-7-15(22(29)30)23-21(28)16(24-20(27)14-4-2-1-3-5-14)10-13-6-8-17-18(11-13)32-12-31-17/h1-6,8,11,15-16H,7,9-10,12H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t15-,16-/m1/s1
C22H22N2O8442.41872100
1711025

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O8/c25-19(26)9-7-15(22(29)30)23-21(28)16(24-20(27)14-4-2-1-3-5-14)10-13-6-8-17-18(11-13)32-12-31-17/h1-6,8,11,15-16H,7,9-10,12H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/p-2/t15-,16-/m0/s1
C22H20N2O8440.40391100
1711031

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O8/c25-19(26)9-7-15(22(29)30)23-21(28)16(24-20(27)14-4-2-1-3-5-14)10-13-6-8-17-18(11-13)32-12-31-17/h1-6,8,11,15-16H,7,9-10,12H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/p-2/t15-,16-/m1/s1
C22H20N2O8440.40391100
1711029

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O8/c25-19(26)9-7-15(22(29)30)23-21(28)16(24-20(27)14-4-2-1-3-5-14)10-13-6-8-17-18(11-13)32-12-31-17/h1-6,8,11,15-16H,7,9-10,12H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/p-2/t15-,16+/m1/s1
C22H20N2O8440.40391100
1711027

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H22N2O8/c25-19(26)9-7-15(22(29)30)23-21(28)16(24-20(27)14-4-2-1-3-5-14)10-13-6-8-17-18(11-13)32-12-31-17/h1-6,8,11,15-16H,7,9-10,12H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/p-2/t15-,16+/m0/s1
C22H20N2O8440.40391100

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