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 13 results

Search term: NJICGAVMYWKCMW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390290

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,27+,28-,29-,30+/m1/s1
C30H50O2442.71683638012
409897

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21?,22?,23-,24+,27-,28+,29+,30-/m0/s1
C30H50O2442.71688400
3430150

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3
C30H50O2442.7168000000013100
24697887

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,27+,28-,29-,30-/m1/s1
C30H50O2442.71683300
28295868

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21?,22-,23?,24?,27-,28+,29+,30-/m0/s1
C30H50O2442.71683100
64863401

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,27+,28+,29-,30+/m1/s1
C30H50O2442.71683400
26374023

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22?,23+,24-,27+,28-,29-,30+/m1/s1
C30H50O2442.71682300
4475896

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22?,23+,24?,27+,28-,29-,30+/m1/s1
C30H50O2442.71682200
8586549

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21?,22-,23-,24?,27-,28+,29+,30-/m0/s1
C30H50O2442.71682100
17961308

1 of 8 defined stereocentres - 1/8 defined
InChI=1/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21?,22?,23?,24?,27?,28?,29-,30?/m1/s1
C30H50O2442.71682100
60600272

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22-,23?,24+,27-,28-,29+,30-/m0/s1
C30H50O2442.71681100
113611590

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22+,23+,24+,27-,28+,29+,30-/m0/s1
C30H50O2442.71681100
115015564

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22?,23?,24-,27+,28-,29-,30+/m1/s1
C30H50O2442.71681100

Advertisement