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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 4 results

Search term: C48H70O7 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30791999

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C48H70O7/c1-33(19-14-15-20-34(2)22-17-25-36(4)27-29-41-38(6)31-40(49)32-47(41,8)9)21-16-23-35(3)24-18-26-37(5)28-30-42(48(10,11)51)55-46-45(53-13)43(50)44(52-12)39(7)54-46/h14-30,39-40,42-46,49-51H,31-32H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,29-27+,30-28+,33-19+,34-20+,35-23+,36-25+,37-26+/t39-,40+,42-,43+,44+,45-,46-/m0/s1
C48H70O7759.06525500
8828060

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C48H70O7/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-42-40(37-41(53-3)43(38)49)55-47(52)48(42)45(50)39(44(54-4)46(48)51)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,37,49H,5-12,17-18,23-36H2,1-4H3/b15-13-,16-14-,21-19-,22-20-
C48H70O7759.06522100
24607931

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C48H70O7/c1-33(19-14-15-20-34(2)22-17-25-36(4)27-29-41-38(6)31-40(49)32-47(41,8)9)21-16-23-35(3)24-18-26-37(5)28-30-42(48(10,11)51)55-46-45(53-13)43(50)44(52-12)39(7)54-46/h14-30,39-40,42-46,49-51H,31-32H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,29-27+,30-28+,33-19+,34-20+,35-23+,36-25+,37-26+/t39?,40-,42+,43?,44?,45?,46?/m1/s1
C48H70O7759.06521200
58837682

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C48H70O7/c1-33(19-14-15-20-34(2)22-17-25-36(4)27-29-41-38(6)31-40(49)32-47(41,8)9)21-16-23-35(3)24-18-26-37(5)28-30-42(48(10,11)51)55-46-45(53-13)43(50)44(52-12)39(7)54-46/h14-30,39-40,42-46,49-51H,31-32H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,29-27+,30-28+,33-19+,34-20+,35-23+,36-25+,37-26+/t39?,40-,42+,43-,44-,45+,46?/m1/s1
C48H70O7759.06521100

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