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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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 14 results

Search term: C27H47N7O6 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
106778

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1
C27H47N7O6565.7054363600
4470717

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)
C27H47N7O6565.705379999998181600
23954690

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H47N7O6/c28-10-2-5-11-30-12-6-13-31-16-9-25(38)32-14-3-1-4-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)
C27H47N7O6565.70544200
9105060

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H47N7O6/c1-16-7-8-17(2)11-19(4)14-31-25(39)20(6-5-9-30-27(28)29)33-23(36)15-32-26(40)21(13-24(37)38)34-22(35)12-18(3)10-16/h7-8,16-21H,5-6,9-15H2,1-4H3,(H,31,39)(H,32,40)(H,33,36)(H,34,35)(H,37,38)(H4,28,29,30)/b8-7+/t16-,17-,18-,19-,20+,21+/m1/s1
C27H47N7O6565.70542100
9159820

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H47N7O6/c28-10-9-25(38)32-15-5-4-12-31-14-6-13-30-11-2-1-3-16-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1
C27H47N7O6565.70542100
16668425

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H47N7O6/c28-14-4-1-7-20(31)24(36)32-21(8-2-5-15-29)25(37)33-22(9-3-6-16-30)26(38)34-23(27(39)40)17-18-10-12-19(35)13-11-18/h10-13,20-23,35H,1-9,14-17,28-31H2,(H,32,36)(H,33,37)(H,34,38)(H,39,40)
C27H47N7O6565.705411010
16668556

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H47N7O6/c28-14-4-1-7-20(31)24(36)32-21(8-2-5-15-29)25(37)34-23(17-18-10-12-19(35)13-11-18)26(38)33-22(27(39)40)9-3-6-16-30/h10-13,20-23,35H,1-9,14-17,28-31H2,(H,32,36)(H,33,38)(H,34,37)(H,39,40)
C27H47N7O6565.70541105
16671209

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H47N7O6/c28-14-4-1-7-20(31)24(36)34-23(17-18-10-12-19(35)13-11-18)26(38)32-21(8-2-5-15-29)25(37)33-22(27(39)40)9-3-6-16-30/h10-13,20-23,35H,1-9,14-17,28-31H2,(H,32,38)(H,33,37)(H,34,36)(H,39,40)
C27H47N7O6565.70541105
16724295

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H47N7O6/c28-14-4-1-7-21(32-24(36)20(31)17-18-10-12-19(35)13-11-18)25(37)33-22(8-2-5-15-29)26(38)34-23(27(39)40)9-3-6-16-30/h10-13,20-23,35H,1-9,14-17,28-31H2,(H,32,36)(H,33,37)(H,34,38)(H,39,40)
C27H47N7O6565.705411012
78475125

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m1/s1
C27H47N7O6565.70541100
95550387

Double-bond stereo
InChI=1/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-9,17-18,30-36,38-40H,1-6,10-16,19,28H2,(H2,29,37)
C27H47N7O6565.70541100
95594472

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,17-18,22,30-31,34-36,39H,1-6,9-16,19,28H2,(H2,29,37)(H,32,38)(H,33,40)
C27H47N7O6565.70541100
95657846

Double-bond stereo
InChI=1/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,30-31,33,35-36,40H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,34,39)
C27H47N7O6565.70541100
129163065

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H47N7O6/c1-15(2)11-19(25(37)33-9-5-7-20(33)26(38)34-10-6-8-21(34)27(39)40)32-23(35)18(12-17-13-29-14-30-17)31-24(36)22(28)16(3)4/h15-22,29-30H,5-14,28H2,1-4H3,(H,31,36)(H,32,35)(H,39,40)/t17?,18-,19-,20-,21-,22-/m0/s1
C27H47N7O6565.70541100

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