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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 30 results

Search term: C47H88O6 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30777660

Double-bond stereo
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h19,22,44H,4-18,20-21,23-43H2,1-3H3/b22-19-
C47H88O6749.1986500
30777688

Double-bond stereo
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-44(53-47(50)41-38-35-32-29-24-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-26-23-20-17-14-11-8-5-2/h15,18,44H,4-14,16-17,19-43H2,1-3H3/b18-15-
C47H88O6749.1985500
59652528

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,44H,4-14,16-17,19-43H2,1-3H3/b18-15-/t44-/m1/s1
C47H88O6749.1985700
59653326

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14,17,44H,4-13,15-16,18-43H2,1-3H3/b17-14-/t44-/m1/s1
C47H88O6749.1984500
59651635

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h19,22,44H,4-18,20-21,23-43H2,1-3H3/b22-19-/t44-/m0/s1
C47H88O6749.1984500
59651692

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14,17,44H,4-13,15-16,18-43H2,1-3H3/b17-14-/t44-/m1/s1
C47H88O6749.1984500
59651832

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h15,18,44H,4-14,16-17,19-43H2,1-3H3/b18-15-/t44-/m0/s1
C47H88O6749.1984500
30779201

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-21-23-25-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-18-15-12-9-6-3)53-47(50)41-38-35-32-29-26-24-22-20-17-14-11-8-5-2/h19,21,44H,4-18,20,22-43H2,1-3H3/b21-19-/t44-/m1/s1
C47H88O6749.1983300
35015291

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14,17,44H,4-13,15-16,18-43H2,1-3H3/b17-14-
C47H88O6749.1982100
35015430

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h15,18,44H,4-14,16-17,19-43H2,1-3H3/b18-15-
C47H88O6749.1982100
35016169

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,44H,4-14,16-17,19-43H2,1-3H3/b18-15-
C47H88O6749.1982100
35016967

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14,17,44H,4-13,15-16,18-43H2,1-3H3/b17-14-
C47H88O6749.1982100
75319983

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-29-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-28-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-17-14-11-8-5-2/h21-22,44H,4-20,23-43H2,1-3H3/b22-21-/t44-/m1/s1
C47H88O6749.1982200
75319986

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-21-22-23-24-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-18-15-12-9-6-3)53-47(50)41-38-35-32-29-25-20-17-14-11-8-5-2/h22-23,44H,4-21,24-43H2,1-3H3/b23-22-/t44-/m1/s1
C47H88O6749.1982200
75319990

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-21-22-23-24-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-18-15-12-9-6-3)53-47(50)41-38-35-32-29-25-20-17-14-11-8-5-2/h14,17,44H,4-13,15-16,18-43H2,1-3H3/b17-14-/t44-/m1/s1
C47H88O6749.1982200
75320074

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-28-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-20-17-14-11-8-5-2/h23-24,44H,4-22,25-43H2,1-3H3/b24-23-/t44-/m1/s1
C47H88O6749.1982200
75320078

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-23-24-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-25-20-17-14-11-8-5-2/h14,17,44H,4-13,15-16,18-43H2,1-3H3/b17-14-/t44-/m1/s1
C47H88O6749.1982200
75320080

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-25-23-20-17-14-11-8-5-2/h19,22,44H,4-18,20-21,23-43H2,1-3H3/b22-19-/t44-/m1/s1
C47H88O6749.1982200
75320180

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h19,22,44H,4-18,20-21,23-43H2,1-3H3/b22-19-/t44-/m1/s1
C47H88O6749.1982200
75320185

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H88O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h15,18,44H,4-14,16-17,19-43H2,1-3H3/b18-15-/t44-/m1/s1
C47H88O6749.1982200
12

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