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 6 results

Search term: SKISMDCNTKLSHQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
35518443

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C32H44O11/c1-15(2)30-22(37-18(5)34)17(4)31-20-23-28(14-33,38-23)25(35)32-21(31)19(27(6,41-32)40-26(32)36)16(3)12-10-8-7-9-11-13-29(42-30,43-31)39-24(20)30/h16-17,19-25,33,35H,1,7-14H2,2-6H3/t16-,17+,19+,20-,21-,22+,23-,24+,25+,27-,28-,29?,30-,31+,32-/m0/s1
C32H44O11604.68521100
35518444

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C32H44O11/c1-15(2)30-22(37-18(5)34)17(4)31-20-23-28(14-33,38-23)25(35)32-21(31)19(27(6,41-32)40-26(32)36)16(3)12-10-8-7-9-11-13-29(42-30,43-31)39-24(20)30/h16-17,19-25,33,35H,1,7-14H2,2-6H3/t16-,17-,19-,20+,21+,22-,23+,24-,25-,27+,28+,29?,30+,31-,32+/m1/s1
C32H44O11604.68521100
58145298

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C32H44O11/c1-15(2)30-22(37-18(5)34)17(4)31-20-23-28(14-33,38-23)25(35)32-21(31)19(27(6,41-32)40-26(32)36)16(3)12-10-8-7-9-11-13-29(42-30,43-31)39-24(20)30/h16-17,19-25,33,35H,1,7-14H2,2-6H3/t16-,17+,19+,20-,21-,22+,23-,24+,25+,27-,28-,29+,30-,31+,32-/m0/s1
C32H44O11604.68521100
58145300

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C32H44O11/c1-15(2)30-22(37-18(5)34)17(4)31-20-23-28(14-33,38-23)25(35)32-21(31)19(27(6,41-32)40-26(32)36)16(3)12-10-8-7-9-11-13-29(42-30,43-31)39-24(20)30/h16-17,19-25,33,35H,1,7-14H2,2-6H3/t16-,17-,19-,20+,21+,22-,23+,24-,25-,27+,28+,29-,30+,31-,32+/m1/s1
C32H44O11604.68521100
65322917

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C32H44O11/c1-15(2)30-22(37-18(5)34)17(4)31-20-23-28(14-33,38-23)25(35)32-21(31)19(27(6,41-32)40-26(32)36)16(3)12-10-8-7-9-11-13-29(42-30,43-31)39-24(20)30/h16-17,19-25,33,35H,1,7-14H2,2-6H3/t16-,17+,19+,20-,21-,22+,23-,24?,25+,27-,28-,29?,30-,31-,32-/m0/s1
C32H44O11604.68521100
65322931

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C32H44O11/c1-15(2)30-22(37-18(5)34)17(4)31-20-23-28(14-33,38-23)25(35)32-21(31)19(27(6,41-32)40-26(32)36)16(3)12-10-8-7-9-11-13-29(42-30,43-31)39-24(20)30/h16-17,19-25,33,35H,1,7-14H2,2-6H3/t16-,17-,19-,20+,21+,22-,23+,24?,25-,27+,28+,29?,30+,31+,32+/m1/s1
C32H44O11604.68521100

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