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: PTBPQBZWBIRISO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
71292151

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C36H46N4O10/c1-16-29(41)21(37)11-24(49-16)50-23-15-36(46,17(2)38-39-18-12-34(3,4)40(47)35(5,6)13-18)14-20-26(23)33(45)28-27(31(20)43)30(42)19-9-8-10-22(48-7)25(19)32(28)44/h8-10,16,21,23-24,29,41,43,45-47H,11-15,37H2,1-7H3/b38-17+/t16?,21?,23-,24-,29+,36-/m0/s1
C36H46N4O10694.77125400
2973514

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C36H46N4O10/c1-16-29(41)21(37)11-24(49-16)50-23-15-36(46,17(2)38-39-18-12-34(3,4)40(47)35(5,6)13-18)14-20-26(23)33(45)28-27(31(20)43)30(42)19-9-8-10-22(48-7)25(19)32(28)44/h8-10,16,21,23-24,29,41,43,45-47H,11-15,37H2,1-7H3
C36H46N4O10694.7712399999984300
5254141

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C36H46N4O10/c1-16-29(41)21(37)11-24(49-16)50-23-15-36(46,17(2)38-39-18-12-34(3,4)40(47)35(5,6)13-18)14-20-26(23)33(45)28-27(31(20)43)30(42)19-9-8-10-22(48-7)25(19)32(28)44/h8-10,16,21,23-24,29,41,43,45-47H,11-15,37H2,1-7H3/b38-17+/t16-,21-,23-,24-,29+,36-/m0/s1
C36H46N4O10694.7712399999982200
3636500

Charge

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C36H46N4O10/c1-16-29(41)21(37)11-24(49-16)50-23-15-36(46,17(2)38-39-18-12-34(3,4)40(47)35(5,6)13-18)14-20-26(23)33(45)28-27(31(20)43)30(42)19-9-8-10-22(48-7)25(19)32(28)44/h8-10,16,21,23-24,29,41,43,45-47H,11-15,37H2,1-7H3/p+1
C36H47N4O10695.7791799999981100
82827668

Double-bond stereo

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C36H46N4O10/c1-16-29(41)21(37)11-24(49-16)50-23-15-36(46,17(2)38-39-18-12-34(3,4)40(47)35(5,6)13-18)14-20-26(23)33(45)28-27(31(20)43)30(42)19-9-8-10-22(48-7)25(19)32(28)44/h8-10,16,21,23-24,29,41,43,45-47H,11-15,37H2,1-7H3/b38-17+/t16?,21?,23-,24?,29?,36-/m0/s1
C36H46N4O10694.77121300
95503939

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C36H46N4O10/c1-16-29(41)21(37)11-24(49-16)50-23-15-36(46,17(2)38-39-18-12-34(3,4)40(47)35(5,6)13-18)14-20-26(23)33(45)28-27(31(20)43)30(42)19-9-8-10-22(48-7)25(19)32(28)44/h8-10,16,21,23-24,29,41,43,45-47H,11-15,37H2,1-7H3/b38-17+/t16?,21?,23-,24-,29-,36-/m0/s1
C36H46N4O10694.77121100

Advertisement