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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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Isotopically Labeled
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Found 5 results

Search term: C27H54NO12P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57618016

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H51O12P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34;/h9-10,20,22-28,30-34H,2-8,11-19H2,1H3,(H,35,36);1H3/b10-9-;/t20-,22-,23-,24+,25-,26-,27-;/m1./s1
C27H54NO12P615.69092100
107563274

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H51O12P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34;/h9-10,20,22-28,30-34H,2-8,11-19H2,1H3,(H,35,36);1H3/b10-9-;/t20-,22?,23-,24+,25-,26-,27?;/m1./s1
C27H54NO12P615.69092100
113381061

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H54NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(31)37-18-22(29)19-40-41(35,36)39-17-16-28-21-27(34)26(33)25(32)23(30)20-38-27/h22-23,25-26,28-30,32-34H,2-21H2,1H3,(H,35,36)/t22-,23-,25-,26+,27-/m1/s1
C27H54NO12P615.69091100
113381066

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H54NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(31)40-22(18-29)19-39-41(35,36)38-17-16-28-21-27(34)26(33)25(32)23(30)20-37-27/h22-23,25-26,28-30,32-34H,2-21H2,1H3,(H,35,36)/t22-,23-,25-,26+,27-/m1/s1
C27H54NO12P615.69091100
58801534

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H51O12P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34;/h9-10,20,22-28,30-34H,2-8,11-19H2,1H3,(H,35,36);1H3/b10-9-;/t20-,22-,23-,24+,25+,26+,27-;/m1./s1
C27H54NO12P615.69091100

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