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 2 results

Search term: XQRJFEVDQXEIAX-JFYQDRLCSA-M (Found by InChIKey (full match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58837846

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+1/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1
C48H72CoN11O8990.08742200
88293919

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+1/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1/rC48H72CoN11O8/c1-23(61)22-56-38(68)16-17-45(6)29(18-35(53)65)43-48(9)47(8,21-37(55)67)28(12-15-34(52)64)40-25(3)42-46(7,20-36(54)66)26(10-13-32(50)62)30-19-31-44(4,5)27(11-14-33(51)63)39-24(2)41(45)59(43)49(57(30)42,58(31)39)60(40)48/h19,23,26-29,43,61H,10-18,20-22H2,1-9H3,(H2,50,62)(H2,51,63)(H2,52,64)(H2,53,65)(H2,54,66)(H2,55,67)(H,56,68)/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+/m1/s1
C48H72CoN11O8990.08742200

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