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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
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Single/Multi-component
Isotopically Labeled
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Found 21 results

Search term: C41H76O6 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4941217

Double-bond stereo
InChI=1/C41H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,42-43H,3-16,21-38H2,1-2H3/b19-17+,20-18+
C41H76O6665.0385172400
7985671

Double-bond stereo
InChI=1/C41H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,42-43H,3-16,21-38H2,1-2H3/b19-17-,20-18-
C41H76O6665.0385161400
79413298

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C41H76O6/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-35-41(44)47-38(36-45-39(42)33-6-3)37-46-40(43)34-31-29-27-25-23-21-18-16-14-12-10-8-5-2/h15,17,38H,4-14,16,18-37H2,1-3H3/b17-15-
C41H76O6665.03857600
103873415

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C41H76O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-26-28-31-34-40(43)46-37-38(47-41(44)35-32-29-25-15-12-9-6-3)36-45-39(42)33-30-27-24-14-11-8-5-2/h19-20,38H,4-18,21-37H2,1-3H3/b20-19-
C41H76O6665.03854400
103874009

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C41H76O6/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-35-41(44)47-38(36-45-39(42)33-6-3)37-46-40(43)34-31-29-27-25-23-21-18-16-14-12-10-8-5-2/h19-20,38H,4-18,21-37H2,1-3H3/b20-19-
C41H76O6665.03854400
9116617

Double-bond stereo
InChI=1/C41H76O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-26-29-32-35-41(44)47-38(36-45-39(42)33-30-27-24-14-11-8-5-2)37-46-40(43)34-31-28-25-15-12-9-6-3/h19-20,38H,4-18,21-37H2,1-3H3/b20-19+
C41H76O6665.03852100
9402694

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C41H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-45-36-39(46-33-29-24-22-20-18-16-14-12-10-8-6-4-2)40(44)41(38(43)34-42)47-35-37-30-26-25-27-31-37/h25-27,30-31,38-44H,3-24,28-29,32-36H2,1-2H3/t38-,39+,40+,41+/m0/s1
C41H76O6665.03852100
24608136

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C41H76O6/c1-4-7-9-11-13-15-17-19-20-22-23-25-27-29-31-34-40(43)46-37-38(36-45-39(42)33-6-3)47-41(44)35-32-30-28-26-24-21-18-16-14-12-10-8-5-2/h27,29,38H,4-26,28,30-37H2,1-3H3/b29-27-
C41H76O6665.03851100
95630897

Double-bond stereo
InChI=1/C41H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,33-34,42-45H,3-16,21-32,35-38H2,1-2H3/b19-17+,20-18+,39-33u,40-34u
C41H76O6665.03851100
95761800

Double-bond stereo
InChI=1/C41H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,42-43H,3-16,21-38H2,1-2H3/b19-17-,20-18+
C41H76O6665.03851100
117215546

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C41H76O6/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-25-29-33-40(43)45-36-37(35-42)46-41(44)34-30-26-22-24-28-32-39-38(47-39)31-27-23-10-8-6-4-2/h23,27,37-39,42H,3-22,24-26,28-36H2,1-2H3/b27-23-/t37-,38?,39?/m0/s1
C41H76O6665.03851100
117215547

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C41H76O6/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-25-30-34-41(44)46-37(35-42)36-45-40(43)33-29-26-22-24-28-32-39-38(47-39)31-27-23-10-8-6-4-2/h23,27,37-39,42H,3-22,24-26,28-36H2,1-2H3/b27-23-/t37-,38?,39?/m0/s1
C41H76O6665.03851100
117215548

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C41H76O6/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-25-29-33-40(43)45-35-37(42)36-46-41(44)34-30-26-22-24-28-32-39-38(47-39)31-27-23-10-8-6-4-2/h23,27,37-39,42H,3-22,24-26,28-36H2,1-2H3/b27-23-/t37-,38?,39?/m1/s1
C41H76O6665.03851100
117215549

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C41H76O6/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-25-29-33-40(43)45-35-37(42)36-46-41(44)34-30-26-22-24-28-32-39-38(47-39)31-27-23-10-8-6-4-2/h23,27,37-39,42H,3-22,24-26,28-36H2,1-2H3/b27-23-/t37-,38?,39?/m0/s1
C41H76O6665.03851100
117215550

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C41H76O6/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-33-40(43)45-36-37(35-42)46-41(44)34-30-26-23-20-19-21-24-28-32-39-38(47-39)31-27-6-4-2/h24,28,37-39,42H,3-23,25-27,29-36H2,1-2H3/b28-24-/t37-,38?,39?/m0/s1
C41H76O6665.03851100
117215551

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C41H76O6/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-26-30-34-41(44)46-37(35-42)36-45-40(43)33-29-25-22-20-19-21-24-28-32-39-38(47-39)31-27-6-4-2/h24,28,37-39,42H,3-23,25-27,29-36H2,1-2H3/b28-24-/t37-,38?,39?/m0/s1
C41H76O6665.03851100
117215552

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C41H76O6/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-33-40(43)45-35-37(42)36-46-41(44)34-30-26-23-20-19-21-24-28-32-39-38(47-39)31-27-6-4-2/h24,28,37-39,42H,3-23,25-27,29-36H2,1-2H3/b28-24-/t37-,38?,39?/m1/s1
C41H76O6665.03851100
117215553

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C41H76O6/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-33-40(43)45-35-37(42)36-46-41(44)34-30-26-23-20-19-21-24-28-32-39-38(47-39)31-27-6-4-2/h24,28,37-39,42H,3-23,25-27,29-36H2,1-2H3/b28-24-/t37-,38?,39?/m0/s1
C41H76O6665.03851100
12

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