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: LTSHFAAMUZRJGB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10306152

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H32O15/c1-39-14-7-15-18(12(32)6-13(40-15)10-2-4-11(31)5-3-10)21(34)19(14)27-24(37)23(36)26(17(9-30)41-27)43-28-25(38)22(35)20(33)16(8-29)42-28/h2-7,16-17,20,22-31,33-38H,8-9H2,1H3/t16-,17-,20-,22+,23-,24-,25-,26-,27+,28+/m1/s1
C28H32O15608.54479600
115806

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H32O15/c1-39-14-7-15-18(12(32)6-13(40-15)10-2-4-11(31)5-3-10)21(34)19(14)27-24(37)23(36)26(17(9-30)41-27)43-28-25(38)22(35)20(33)16(8-29)42-28/h2-7,16-17,20,22-31,33-38H,8-9H2,1H3/t16-,17-,20-,22-,23+,24-,25-,26-,27+,28+/m1/s1
C28H32O15608.54473300
24843948

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C28H32O15/c1-39-14-7-15-18(12(32)6-13(40-15)10-2-4-11(31)5-3-10)21(34)19(14)27-24(37)23(36)26(17(9-30)41-27)43-28-25(38)22(35)20(33)16(8-29)42-28/h2-7,16-17,20,22-31,33-38H,8-9H2,1H3/t16?,17?,20-,22+,23-,24?,25?,26-,27+,28+/m1/s1
C28H32O15608.54471100

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