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: FCGCMRDADMTJIM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23329509

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H23NO8/c1-4-8-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29-3,22-19(20)28)17(26)12-9-6-5-7-10-12/h4-10,13-14,18,23-24,27H,1-3H3,(H,22,28)/b8-4-/t13-,14-,18+,20+,21+/m0/s1
C21H23NO8417.4092181800
115041093

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H23NO8/c1-4-8-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29-3,22-19(20)28)17(26)12-9-6-5-7-10-12/h4-10,13-14,18,23-24,27H,1-3H3,(H,22,28)/b8-4+
C21H23NO8417.40924400
72390770

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H23NO8/c1-4-8-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29-3,22-19(20)28)17(26)12-9-6-5-7-10-12/h4-10,13-14,18,23-24,27H,1-3H3,(H,22,28)
C21H23NO8417.40923300
82964712

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H23NO8/c1-4-8-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29-3,22-19(20)28)17(26)12-9-6-5-7-10-12/h4-10,13-14,18,23-24,27H,1-3H3,(H,22,28)/b8-4-/t13-,14-,18+,20+,21+/m1/s1
C21H23NO8417.40922100
23336157

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H23NO8/c1-4-8-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29-3,22-19(20)28)17(26)12-9-6-5-7-10-12/h4-10,13-14,18,23-24,27H,1-3H3,(H,22,28)/b8-4+/t13-,14-,18+,20+,21+/m0/s1
C21H23NO8417.40922200
68025136

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H23NO8/c1-4-8-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29-3,22-19(20)28)17(26)12-9-6-5-7-10-12/h4-10,13-14,18,23-24,27H,1-3H3,(H,22,28)/b8-4-/t13-,14-,18+,20?,21?/m0/s1
C21H23NO8417.40921100
95533489

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C21H23NO8/c1-4-8-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29-3,22-19(20)28)17(26)12-9-6-5-7-10-12/h4-10,13-14,18,23-24,27H,1-3H3,(H,22,28)/b8-4-/t13?,14?,18?,20-,21-/m1/s1
C21H23NO8417.40921100
113610761

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H23NO8/c1-4-8-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29-3,22-19(20)28)17(26)12-9-6-5-7-10-12/h4-10,13-14,18,23-24,27H,1-3H3,(H,22,28)/t13-,14-,18-,20-,21-/m0/s1
C21H23NO8417.40921100
114579564

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H23NO8/c1-4-8-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29-3,22-19(20)28)17(26)12-9-6-5-7-10-12/h4-10,13-14,18,23-24,27H,1-3H3,(H,22,28)/b8-4-
C21H23NO8417.40921100

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