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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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Found 4 results

Search term: C27H30ClFN6O7S (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
71044213

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C27H30ClFN6O7S/c28-19-4-2-1-3-18(19)24(39)27(13-35-15-31-14-33-35,16-5-7-17(29)8-6-16)43-12-21(25(40)32-11-23(37)38)34-22(36)10-9-20(30)26(41)42/h1-8,14-15,20-21,24,39H,9-13,30H2,(H,32,40)(H,34,36)(H,37,38)(H,41,42)/t20-,21?,24-,27-/m1/s1
C27H30ClFN6O7S637.07951500
95569513

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H30ClFN6O7S/c28-19-4-2-1-3-18(19)24(39)27(13-35-15-31-14-33-35,16-5-7-17(29)8-6-16)43-12-21(25(40)32-11-23(37)38)34-22(36)10-9-20(30)26(41)42/h1-8,11,14-15,23-24,26,30,37-42H,9-10,12-13H2,(H,34,36)/b25-21u,30-20?,32-11+
C27H30ClFN6O7S637.07951100
95573792

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H30ClFN6O7S/c28-19-4-2-1-3-18(19)24(39)27(13-35-15-31-14-33-35,16-5-7-17(29)8-6-16)43-12-21(25(40)32-11-23(37)38)34-22(36)10-9-20(30)26(41)42/h1-8,10-11,14-15,24,32,34,36-42H,9,12-13,30H2
C27H30ClFN6O7S637.07951100
95600702

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C27H30ClFN6O7S/c28-19-4-2-1-3-18(19)24(39)27(13-35-15-31-14-33-35,16-5-7-17(29)8-6-16)43-12-21(25(40)32-11-23(37)38)34-22(36)10-9-20(30)26(41)42/h1-8,14-15,20-21,24,39H,9-13,30H2,(H,32,40)(H,34,36)(H,37,38)(H,41,42)/t20-,21-,24+,27+/m0/s1
C27H30ClFN6O7S637.07951100

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