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 14 results

Search term: DWFFHRSGCPBMKD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23327393

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,15-9+,17-11+/t16-,18-,22-,23-,24+,26+,27-/m0/s1
C29H40N2O9560.635910800
49697274

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,15-9-,17-11-/t16-,18+,22-,23-,24+,26-,27-/m1/s1
C29H40N2O9560.63592100
57524980

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,15-9+,17-11+/t16-,18-,22-,23-,24+,26-,27-/m0/s1
C29H40N2O9560.63592200
58134291

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,15-9-,17-11+/t16-,18-,22-,23-,24+,26+,27-/m0/s1
C29H40N2O9560.63592200
4943012

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8+,15-9-,17-11+/t16-,18+,22-,23-,24+,26-,27-/m1/s1
C29H40N2O9560.63592200
8432714

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8+,15-9-,17-11+/t16-,18-,22-,23-,24+,26?,27-/m0/s1
C29H40N2O9560.63592100
78443003

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8+,15-9-,17-11-/t16-,18+,22-,23-,24+,26-,27-/m1/s1
C29H40N2O9560.63591100
109127756

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,15-9+,17-11+/t16-,18-,22-,23-,24+,26+,27?/m0/s1
C29H40N2O9560.63591100
111307030

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,15-9-,17-11-/t16-,18-,22-,23-,24+,26+,27-/m1/s1
C29H40N2O9560.63591100
114815613

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,15-9-,17-11+/t16-,18-,22-,23-,24+,26-,27-/m0/s1
C29H40N2O9560.63591100
114937482

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,15-9+,17-11+/t16-,18+,22-,23-,24+,26-,27-/m1/s1
C29H40N2O9560.63591100
127404523

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,15-9-,17-11+/t16-,18-,22-,23-,24+,26?,27-/m0/s1
C29H40N2O9560.63591100

Advertisement