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: MRTOLPUJERYBTF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4585475

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C33H37NO12/c1-6-44-22(36)10-14(2)34-19-11-23(45-15(3)28(19)37)46-21-13-33(42,16(4)35)12-18-25(21)32(41)27-26(30(18)39)29(38)17-8-7-9-20(43-5)24(17)31(27)40/h7-10,15,19,21,23,28,34,37,39,41-42H,6,11-13H2,1-5H3/b14-10+
C33H37NO12639.64644200
4951148

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H37NO12/c1-6-44-22(36)10-14(2)34-19-11-23(45-15(3)28(19)37)46-21-13-33(42,16(4)35)12-18-25(21)32(41)27-26(30(18)39)29(38)17-8-7-9-20(43-5)24(17)31(27)40/h7-10,15,19,21,23,28,34,37,39,41-42H,6,11-13H2,1-5H3/b14-10+/t15-,19-,21-,23-,28+,33-/m0/s1
C33H37NO12639.64643100
140903

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C33H37NO12/c1-6-44-22(36)10-14(2)34-19-11-23(45-15(3)28(19)37)46-21-13-33(42,16(4)35)12-18-25(21)32(41)27-26(30(18)39)29(38)17-8-7-9-20(43-5)24(17)31(27)40/h7-10,15,19,21,23,28,34,37,39,41-42H,6,11-13H2,1-5H3
C33H37NO12639.64642100

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