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 10 results

Search term: VDHYPSXGMGKEHS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2596884

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3
C39H61NO5623.905371100
10044591

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/t28-,30-,31-,32-,35-,36+,37-,38+,39-/m1/s1
C39H61NO5623.90532100
10044593

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/t28-,30-,31+,32-,35-,36+,37-,38+,39-/m1/s1
C39H61NO5623.90532100
10044595

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/t28-,30-,31-,32-,35-,36+,37+,38+,39-/m1/s1
C39H61NO5623.90532100
10044597

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/t28-,30-,31+,32-,35-,36+,37+,38+,39-/m1/s1
C39H61NO5623.90532100
10044596

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/p+1/t28-,30-,31+,32-,35-,36+,37+,38+,39-/m1/s1
C39H62NO5624.91271100
10044594

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/p+1/t28-,30-,31-,32-,35-,36+,37+,38+,39-/m1/s1
C39H62NO5624.91271100
10044592

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/p+1/t28-,30-,31+,32-,35-,36+,37-,38+,39-/m1/s1
C39H62NO5624.91271100
5036870

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/t28-,30+,31+,32+,35-,36-,37+,38+,39+/m1/s1
C39H61NO5623.90531100
10044590

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/p+1/t28-,30-,31-,32-,35-,36+,37-,38+,39-/m1/s1
C39H62NO5624.91271100

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