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 8 results

Search term: IBYMOKAONAMZRG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4952604

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H51NO8/c1-8-27-24(18-34)15-19(2)9-11-26(35)21(4)16-23(13-14-33)30(20(3)10-12-28(36)39-27)40-31-29(37)25(32(6)7)17-22(5)38-31/h9,11,14-15,20-25,27,29-31,34,37H,8,10,12-13,16-18H2,1-7H3/b11-9+,19-15+/t20-,21+,22+,23-,24+,25-,27+,29+,30+,31-/m0/s1
C31H51NO8565.73857500
8005147

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H51NO8/c1-8-27-24(18-34)15-19(2)9-11-26(35)21(4)16-23(13-14-33)30(20(3)10-12-28(36)39-27)40-31-29(37)25(32(6)7)17-22(5)38-31/h9,11,14-15,20-25,27,29-31,34,37H,8,10,12-13,16-18H2,1-7H3/b11-9+,19-15+/t20-,21-,22+,23+,24-,25+,27+,29-,30-,31+/m1/s1
C31H51NO8565.73852100
8206396

Double-bond stereo

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C31H51NO8/c1-8-27-24(18-34)15-19(2)9-11-26(35)21(4)16-23(13-14-33)30(20(3)10-12-28(36)39-27)40-31-29(37)25(32(6)7)17-22(5)38-31/h9,11,14-15,20-25,27,29-31,34,37H,8,10,12-13,16-18H2,1-7H3/b11-9+,19-15+/t20?,21?,22-,23?,24?,25+,27?,29-,30?,31+/m1/s1
C31H51NO8565.73852100
28476764

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C31H51NO8/c1-8-27-24(18-34)15-19(2)9-11-26(35)21(4)16-23(13-14-33)30(20(3)10-12-28(36)39-27)40-31-29(37)25(32(6)7)17-22(5)38-31/h9,11,14-15,20-25,27,29-31,34,37H,8,10,12-13,16-18H2,1-7H3/b11-9+,19-15+/t20-,21+,22+,23-,24+,25-,27+,29+,30?,31-/m0/s1
C31H51NO8565.73852200
34449531

Double-bond stereo

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C31H51NO8/c1-8-27-24(18-34)15-19(2)9-11-26(35)21(4)16-23(13-14-33)30(20(3)10-12-28(36)39-27)40-31-29(37)25(32(6)7)17-22(5)38-31/h9,11,14-15,20-25,27,29-31,34,37H,8,10,12-13,16-18H2,1-7H3/b11-9+,19-15+/t20-,21+,22?,23-,24+,25?,27+,29?,30+,31?/m0/s1
C31H51NO8565.73851100
57467468

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H51NO8/c1-8-27-24(18-34)15-19(2)9-11-26(35)21(4)16-23(13-14-33)30(20(3)10-12-28(36)39-27)40-31-29(37)25(32(6)7)17-22(5)38-31/h9,11,14-15,20-25,27,29-31,34,37H,8,10,12-13,16-18H2,1-7H3/b11-9-,19-15+/t20-,21+,22+,23-,24+,25-,27+,29+,30+,31-/m0/s1
C31H51NO8565.73851100
58130942

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C31H51NO8/c1-8-27-24(18-34)15-19(2)9-11-26(35)21(4)16-23(13-14-33)30(20(3)10-12-28(36)39-27)40-31-29(37)25(32(6)7)17-22(5)38-31/h9,11,14-15,20-25,27,29-31,34,37H,8,10,12-13,16-18H2,1-7H3/b11-9-,19-15-/t20-,21+,22+,23-,24+,25-,27+,29+,30?,31-/m0/s1
C31H51NO8565.73851100

Advertisement