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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 7 results

Search term: C48H70O6 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30792000

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C48H70O6/c1-34(20-14-15-21-35(2)23-17-26-37(4)29-31-41-39(6)28-19-33-47(41,8)9)22-16-24-36(3)25-18-27-38(5)30-32-42(48(10,11)50)54-46-45(52-13)43(49)44(51-12)40(7)53-46/h14-18,20-27,29-32,40,42-46,49-50H,19,28,33H2,1-13H3/b15-14+,22-16+,23-17+,25-18+,31-29+,32-30+,34-20+,35-21+,36-24+,37-26+,38-27+/t40-,42-,43+,44+,45-,46-/m0/s1
C48H70O6743.06585500
17248490

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C48H70O6/c1-45-23-17-39-37-15-11-35(49)31-33(37)9-13-41(39)43(45)19-25-47(45,51)21-7-29-53-27-5-3-4-6-28-54-30-8-22-48(52)26-20-44-42-14-10-34-32-36(50)12-16-38(34)40(42)18-24-46(44,48)2/h11-12,15-16,31-32,39-44,49-52H,3-10,13-14,17-30H2,1-2H3/t39-,40-,41-,42-,43+,44+,45+,46+,47+,48+/m1/s1
C48H70O6743.06583300
9105897
InChI=1/C48H70O6/c1-5-7-9-11-13-15-17-19-21-23-33-51-41-29-25-39-27-31-45(53-37-49-3)47(43(39)35-41)48-44-36-42(30-26-40(44)28-32-46(48)54-38-50-4)52-34-24-22-20-18-16-14-12-10-8-6-2/h25-32,35-36H,5-24,33-34,37-38H2,1-4H3
C48H70O6743.06582100
10003372

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C48H70O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-25-34-50-39-45(49-2)33-32-44-35-46(52-37-42-28-21-17-22-29-42)48(53-38-43-30-23-18-24-31-43)47(54-44)40-51-36-41-26-19-16-20-27-41/h16-24,26-32,45-48H,3-15,25,33-40H2,1-2H3/b44-32+/t45-,46+,47+,48-/m0/s1
C48H70O6743.06582100
24607932

Double-bond stereo

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C48H70O6/c1-34(20-14-15-21-35(2)23-17-26-37(4)29-31-41-39(6)28-19-33-47(41,8)9)22-16-24-36(3)25-18-27-38(5)30-32-42(48(10,11)50)54-46-45(52-13)43(49)44(51-12)40(7)53-46/h14-18,20-27,29-32,40,42-46,49-50H,19,28,33H2,1-13H3/b15-14+,22-16+,23-17+,25-18+,31-29+,32-30+,34-20+,35-21+,36-24+,37-26+,38-27+/t40?,42-,43?,44?,45?,46?/m0/s1
C48H70O6743.06581200
58837681

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C48H70O6/c1-34(20-14-15-21-35(2)23-17-26-37(4)29-31-41-39(6)28-19-33-47(41,8)9)22-16-24-36(3)25-18-27-38(5)30-32-42(48(10,11)50)54-46-45(52-13)43(49)44(51-12)40(7)53-46/h14-18,20-27,29-32,40,42-46,49-50H,19,28,33H2,1-13H3/b15-14+,22-16+,23-17+,25-18+,31-29+,32-30+,34-20+,35-21+,36-24+,37-26+,38-27+/t40?,42-,43+,44+,45-,46?/m0/s1
C48H70O6743.06581100
74097446

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C48H70O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-25-34-50-39-45(49-2)33-32-44-35-46(52-37-42-28-21-17-22-29-42)48(53-38-43-30-23-18-24-31-43)47(54-44)40-51-36-41-26-19-16-20-27-41/h16-24,26-32,45-48H,3-15,25,33-40H2,1-2H3/t45-,46+,47+,48-/m0/s1
C48H70O6743.06581100

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