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 5 results

Search term: NRHJTCQXBIEKIC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
143652

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C26H25N7O9S3/c27-26-28-14(11-45-26)18(29-21(37)15-7-16(35)17(36)8-32(15)42)22(38)30-19-23(39)33-20(25(40)41)12(10-44-24(19)33)9-43-13-1-3-31(4-2-13)5-6-34/h1-4,7-8,11,18-19,24,34,42H,5-6,9-10H2,(H5-,27,28,29,30,36,37,38,40,41)/t18?,19-,24-/m0/s1
C26H25N7O9S3675.71323300
143653

Charge

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C26H25N7O9S3/c27-26-28-14(11-45-26)18(29-21(37)15-7-16(35)17(36)8-32(15)42)22(38)30-19-23(39)33-20(25(40)41)12(10-44-24(19)33)9-43-13-1-3-31(4-2-13)5-6-34/h1-4,7-8,11,18-19,24,34,42H,5-6,9-10H2,(H5-,27,28,29,30,36,37,38,40,41)/p+1/t18?,19-,24-/m0/s1
C26H26N7O9S3676.72062200
4891803

Charge

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C26H25N7O9S3/c27-26-28-14(11-45-26)18(29-21(37)15-7-16(35)17(36)8-32(15)42)22(38)30-19-23(39)33-20(25(40)41)12(10-44-24(19)33)9-43-13-1-3-31(4-2-13)5-6-34/h1-4,7-8,11,18-19,24,34,42H,5-6,9-10H2,(H5-,27,28,29,30,36,37,38,40,41)/p+1/t18?,19-,24-/m1/s1
C26H26N7O9S3676.72062100
8276555

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C26H25N7O9S3/c27-26-28-14(11-45-26)18(29-21(37)15-7-16(35)17(36)8-32(15)42)22(38)30-19-23(39)33-20(25(40)41)12(10-44-24(19)33)9-43-13-1-3-31(4-2-13)5-6-34/h1-4,7-8,11,18-19,24,34,42H,5-6,9-10H2,(H5-,27,28,29,30,36,37,38,40,41)/t18?,19-,24-/m1/s1
C26H25N7O9S3675.71321100

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