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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 339 results

Search term: p (Found by synonym)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7175

InChI=1/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
C9H10O2150.1745141160392
217532
InChI=1/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
C9H10O2150.17451401200376
6080

InChI=1/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H
C18H16N2260.33313631224664
12831
InChI=1/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
C8H7ClO154.59361221120194
6386

InChI=1/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
C9H12O3S200.2548116130715
11671

InChI=1/C8H8Cl2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2
C8H8Cl2175.0551116126027
59418

InChI=1/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3
C14H14S2246.3911159003
62534
InChI=1/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
C8H7NO133.14731121341545
70104
InChI=1/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3
C8H7NO3S197.211111010745
64633
InChI=1/C10H16N2.2ClH/c1-11(2)9-5-7-10(8-6-9)12(3)4;;/h5-8H,1-4H3;2*1H
C10H18Cl2N2237.16939410500
66524
InChI=1/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3
C22H35NO4377.51769018332
94708

InChI=1/C18H16N2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H,19-20H2
C18H16N2260.333836815
167316
InChI=1/C3H8N2O/c4-2-1-3(5)6/h1-2,4H2,(H2,5,6)
C3H8N2O88.108476105131
150504

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
C50H71N13O121046.17867510836899129
76426

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17?,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
C28H34O14594.5612241800
392503

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C44H66N12O12/c1-23(2)18-33(43(67)68)53-36(61)22-51-39(63)30(15-16-34(46)59)54-40(64)32(20-26-9-13-28(58)14-10-26)55-42(66)37(24(3)4)56-41(65)31(19-25-7-11-27(57)12-8-25)52-35(60)21-50-38(62)29(45)6-5-17-49-44(47)48/h7-14,23-24,29-33,37,57-58H,5-6,15-22,45H2,1-4H3,(H2,46,59)(H,50,62)(H,51,63)(H,52,60)(H,53,61)(H,54,64)(H,55,66)(H,56,65)(H,67,68)(H4,47,48,49)/t29-,30-,31-,32-,33-,37-/m0/s1
C44H66N12O12955.06892100
392328

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C50H72N10O11/c61-41(31-11-1-21-51-31)52-22-2-12-32(52)42(62)53-23-3-13-33(53)43(63)54-24-4-14-34(54)44(64)55-25-5-15-35(55)45(65)56-26-6-16-36(56)46(66)57-27-7-17-37(57)47(67)58-28-8-18-38(58)48(68)59-29-9-19-39(59)49(69)60-30-10-20-40(60)50(70)71/h31-40,51H,1-30H2,(H,70,71)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
C50H72N10O11989.16713400
392532

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H57N9O8S/c1-22(2)19-30(35(52)45-29(37(54)55)16-18-56-4)46-32(49)23(3)43-34(51)28(11-8-17-42-38(40)41)44-36(53)31(21-25-12-14-26(48)15-13-25)47-33(50)27(39)20-24-9-6-5-7-10-24/h5-7,9-10,12-15,22-23,27-31,48H,8,11,16-21,39H2,1-4H3,(H,43,51)(H,44,53)(H,45,52)(H,46,49)(H,47,50)(H,54,55)(H4,40,41,42)/t23-,27-,28-,29-,30-,31-/m0/s1
C38H57N9O8S799.97972500
392542

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C34H53N11O12/c1-16(2)12-22(31(54)45-24(33(56)57)15-26(37)48)44-29(52)20(4-3-11-40-34(38)39)41-30(53)21(9-10-25(36)47)42-32(55)23(13-17-5-7-18(46)8-6-17)43-28(51)19(35)14-27(49)50/h5-8,16,19-24,46H,3-4,9-15,35H2,1-2H3,(H2,36,47)(H2,37,48)(H,41,53)(H,42,55)(H,43,51)(H,44,52)(H,45,54)(H,49,50)(H,56,57)(H4,38,39,40)/t19-,20-,21-,22-,23-,24-/m0/s1
C34H53N11O12807.85112400
392623

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H43N7O14/c1-12(22(43)30-15(8-35)7-20(41)42)28-23(44)16(9-36)31-25(46)19-5-4-6-34(19)27(48)18(11-38)33-24(45)17(10-37)32-26(47)21(13(2)39)29-14(3)40/h8,12-13,15-19,21,36-39H,4-7,9-11H2,1-3H3,(H,28,44)(H,29,40)(H,30,43)(H,31,46)(H,32,47)(H,33,45)(H,41,42)/t12-,13+,15-,16-,17-,18-,19-,21-/m0/s1
C27H43N7O14689.66882300
12345

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