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 16 results

Search term: KVBSNHACBJJCBD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2382601

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)
C38H58O8642.86231999999813700
21342317

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/t24-,25?,26?,27?,28?,33?,35-,36+,37+,38?/m0/s1
C38H58O8642.862310700
21541046

3 of 10 defined stereocentres - 3/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/t24?,25?,26?,27?,28?,33?,35-,36+,37+,38?/m0/s1
C38H58O8642.86238800
22875356

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/t24-,25+,26?,27+,28+,33?,35-,36+,37+,38+/m0/s1
C38H58O8642.86236200
415469

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/t24-,25+,26-,27+,28-,33+,35-,36+,37+,38+/m0/s1
C38H58O8642.86236500
10082681

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/t24-,25+,26+,27-,28+,33+,35-,36-,37+,38-/m1/s1
C38H58O8642.86232100
10082675

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/t24-,25-,26-,27+,28-,33-,35+,36+,37-,38-/m0/s1
C38H58O8642.86232100
10082677

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/t24-,25+,26+,27-,28+,33+,35-,36-,37+,38+/m1/s1
C38H58O8642.86232100
10082679

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/t24-,25-,26-,27+,28-,33-,35+,36+,37-,38+/m0/s1
C38H58O8642.86232100
10082680

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/p-2/t24-,25+,26+,27-,28+,33+,35-,36-,37+,38-/m1/s1
C38H56O8640.84751100
10082678

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/p-2/t24-,25-,26-,27+,28-,33-,35+,36+,37-,38+/m0/s1
C38H56O8640.84751100
10082676

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/p-2/t24-,25+,26+,27-,28+,33+,35-,36-,37+,38+/m1/s1
C38H56O8640.84751100
4159387

Charge

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/p-2
C38H56O8640.8464399999981100
10082674

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/p-2/t24-,25-,26-,27+,28-,33-,35+,36+,37-,38-/m0/s1
C38H56O8640.84751100
17467363

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C38H58O8/c1-23(2)24-14-19-38(22-45-31(43)12-10-29(39)40)21-20-36(6)25(33(24)38)8-9-27-35(5)17-16-28(46-32(44)13-11-30(41)42)34(3,4)26(35)15-18-37(27,36)7/h24-28,33H,1,8-22H2,2-7H3,(H,39,40)(H,41,42)/t24?,25-,26?,27-,28-,33?,35+,36-,37-,38-/m1/s1
C38H58O8642.86231100

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