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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 6 results

Search term: C27H51O12P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65003687

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H51O12P/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/h6-7,20,22-28,30-34H,2-5,8-19H2,1H3,(H,35,36)/b7-6-/t20-,22-,23-,24+,25+,26+,27-/m0/s1
C27H51O12P598.66047600
34448590

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H51O12P/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)/b10-9-/t20-,22-,23-,24+,25-,26-,27-/m1/s1
C27H51O12P598.66045700
113380967

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H51O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26(32)36-21-24(39-27(33)18-15-16-25(30)31)22-38-40(34,35)37-20-23(29)19-28/h23-24,28-29H,2-22H2,1H3,(H,30,31)(H,34,35)/t23-,24+/m0/s1
C27H51O12P598.66041100
113590148

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H51O12P/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/h6-7,20,22-28,30-34H,2-5,8-19H2,1H3,(H,35,36)/b7-6-/t20-,22-,23-,24+,25+,26+,27-/m1/s1
C27H51O12P598.66041100
24608367

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H51O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)38-20(18-28)19-37-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h14-15,20,22-28,30-34H,2-13,16-19H2,1H3,(H,35,36)/b15-14-/t20?,22-,23-,24+,25-,26-,27-/m1/s1
C27H51O12P598.66041300
24768049

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C27H51O12P/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)/b10-9-/t20-,22?,23-,24?,25?,26?,27-/m1/s1
C27H51O12P598.66041100

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