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 3 results

Search term: QPDWBRHRBKXUNS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4677887

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C35H34N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20,31H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2
C35H32MgN4O6628.95681100
17600514

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C35H34N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20,31H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2/t16-,20-,31+;/m0./s1
C35H32MgN4O6628.95681100
34999243

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C35H34N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20,31H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-3/t16-,20-,31+;/m0./s1/rC35H32MgN4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(42)43)32-30-31(35(45)46-6)34(44)29-17(5)24-12-26-19(8-2)21(14-41)27-13-25(18)37(22)36(38(26)27,39(23)32)40(24)33(29)30/h7,11-14,16,20,31H,1,8-10H2,2-6H3,(H,42,43)/p-1/t16-,20-,31+/m0/s1
C35H31MgN4O6627.94941200

Advertisement