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 7 results

Search term: PEEGMFDJRIRCQO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9874882

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H45BrO10/c1-16-12-20(10-8-9-11-30)38-27(32)18(3)29(33)15-23(17(2)22(40-29)14-21(13-16)34-5)39-28-26(36-7)24(31)25(35-6)19(4)37-28/h8-11,13,17-26,28,31,33H,12,14-15H2,1-7H3/b10-8+,11-9+,16-13+/t17-,18+,19-,20-,21+,22-,23-,24+,25-,26+,28-,29-/m0/s1
C29H45BrO10633.56564300
10192810

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H45BrO10/c1-16-12-20(10-8-9-11-30)38-27(32)18(3)29(33)15-23(17(2)22(40-29)14-21(13-16)34-5)39-28-26(36-7)24(31)25(35-6)19(4)37-28/h8-11,13,17-26,28,31,33H,12,14-15H2,1-7H3/b10-8+,11-9+,16-13+/t17-,18-,19+,20-,21-,22-,23-,24-,25+,26-,28+,29+/m1/s1
C29H45BrO10633.56564426
9562971

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C29H45BrO10/c1-16-12-20(10-8-9-11-30)38-27(32)18(3)29(33)15-23(17(2)22(40-29)14-21(13-16)34-5)39-28-26(36-7)24(31)25(35-6)19(4)37-28/h8-11,13,17-26,28,31,33H,12,14-15H2,1-7H3/b10-8+,11-9+,16-13-/t17-,18-,19+,20+,21-,22?,23-,24-,25+,26-,28+,29+/m1/s1
C29H45BrO10633.56562100
9631249

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H45BrO10/c1-16-12-20(10-8-9-11-30)38-27(32)18(3)29(33)15-23(17(2)22(40-29)14-21(13-16)34-5)39-28-26(36-7)24(31)25(35-6)19(4)37-28/h8-11,13,17-26,28,31,33H,12,14-15H2,1-7H3/b10-8+,11-9+,16-13-/t17-,18-,19+,20-,21-,22-,23-,24-,25+,26-,28+,29+/m1/s1
C29H45BrO10633.56562100
29213566

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H45BrO10/c1-16-12-20(10-8-9-11-30)38-27(32)18(3)29(33)15-23(17(2)22(40-29)14-21(13-16)34-5)39-28-26(36-7)24(31)25(35-6)19(4)37-28/h8-11,13,17-26,28,31,33H,12,14-15H2,1-7H3/b10-8+,11-9+,16-13+/t17-,18+,19-,20+,21+,22-,23-,24+,25-,26+,28+,29-/m0/s1
C29H45BrO10633.56562200
30770716

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C29H45BrO10/c1-16-12-20(10-8-9-11-30)38-27(32)18(3)29(33)15-23(17(2)22(40-29)14-21(13-16)34-5)39-28-26(36-7)24(31)25(35-6)19(4)37-28/h8-11,13,17-26,28,31,33H,12,14-15H2,1-7H3/b10-8+,11-9+,16-13+/t17-,18-,19+,20-,21-,22-,23-,24?,25+,26?,28+,29+/m1/s1
C29H45BrO10633.56562200
28283365

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C29H45BrO10/c1-16-12-20(10-8-9-11-30)38-27(32)18(3)29(33)15-23(17(2)22(40-29)14-21(13-16)34-5)39-28-26(36-7)24(31)25(35-6)19(4)37-28/h8-11,13,17-26,28,31,33H,12,14-15H2,1-7H3/b10-8+,11-9+,16-13+/t17-,18+,19-,20?,21?,22-,23-,24+,25-,26+,28-,29-/m0/s1
C29H45BrO10633.56561100

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