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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 133 results

Search term: C27H29N5O6S (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
94651

InChI=1/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
C27H29N5O6S551.614112988015110
2432045

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H29N5O6S/c1-15-4-6-16(7-5-15)23(26(34)30-14-18-3-2-10-36-18)32(17-8-9-19-20(13-17)38-12-11-37-19)27(35)24-21(28)22(25(29)33)31-39-24/h4-9,13,18,23H,2-3,10-12,14,28H2,1H3,(H2,29,33)(H,30,34)
C27H29N5O6S551.614114800
5048536
InChI=1/C27H29N5O6S/c1-17-14-23(31-38-17)30-25(34)16-39-27-29-20-7-5-4-6-19(20)26(35)32(27)13-11-24(33)28-12-10-18-8-9-21(36-2)22(15-18)37-3/h4-9,14-15H,10-13,16H2,1-3H3,(H,28,33)(H,30,31,34)
C27H29N5O6S551.614112900
7909073

Double-bond stereo
InChI=1/C27H29N5O6S/c1-20-8-10-25(21(2)16-20)31(39(36,37)24-6-4-3-5-7-24)19-27(33)29-28-18-22-17-23(32(34)35)9-11-26(22)30-12-14-38-15-13-30/h3-11,16-18H,12-15,19H2,1-2H3,(H,29,33)/b28-18+
C27H29N5O6S551.614112800
17471433

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H29N5O6S/c1-15(23(33)30-21(26(36)37)11-12-39-2)29-24(34)22(13-16-14-28-19-9-5-3-7-17(16)19)32-25(35)18-8-4-6-10-20(18)31-27(32)38/h3-10,14-15,21-22,28H,11-13H2,1-2H3,(H,29,34)(H,30,33)(H,31,38)(H,36,37)/t15-,21-,22-/m0/s1
C27H29N5O6S551.6141121000
10054199

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H29N5O6S/c1-17(33)28-20-5-9-23(10-6-20)39(36,37)30-24-11-12-25-19-13-18(15-32(25)26(24)34)14-31(16-19)27(35)29-21-3-7-22(38-2)8-4-21/h3-12,18-19,30H,13-16H2,1-2H3,(H,28,33)(H,29,35)/t18-,19+/m0/s1
C27H29N5O6S551.614110700
13130299

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H29N5O6S/c1-35-21-12-17-19(13-22(21)36-2)29-27(39)32-25(17)28-18(26(32)34)4-6-24(33)31-9-7-30(8-10-31)14-16-3-5-20-23(11-16)38-15-37-20/h3,5,11-13,18H,4,6-10,14-15H2,1-2H3,(H,29,39)
C27H29N5O6S551.61419800
18369626
InChI=1/C27H29N5O6S/c1-31-24-22(26(34)32(2)27(31)35)25(30-23(29-24)17-7-9-18(36-3)10-8-17)39-15-21(33)28-13-12-16-6-11-19(37-4)20(14-16)38-5/h6-11,14H,12-13,15H2,1-5H3,(H,28,33)
C27H29N5O6S551.61418600
21389107

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H29N5O6S/c1-38-26(34)23(17-20-9-8-14-28-18-20)30-25(33)24-19-31(27(35)29-21-10-4-2-5-11-21)15-16-32(24)39(36,37)22-12-6-3-7-13-22/h2-14,18,23-24H,15-17,19H2,1H3,(H,29,35)(H,30,33)/t23-,24-/m1/s1
C27H29N5O6S551.61417500
22495839

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H29N5O6S/c1-4-38-18-11-9-17(10-12-18)28-20(33)13-19-23(34)32-27(39-19)29-22(16-7-5-15(6-8-16)14(2)3)21-24(35)30-26(37)31-25(21)36/h5-12,14,19,22H,4,13H2,1-3H3,(H,28,33)(H,29,32,34)(H3,30,31,35,36,37)
C27H29N5O6S551.61416400
2436800

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H29N5O6S/c1-2-36-18-10-7-15(8-11-18)23(26(34)30-16-5-3-4-6-16)32(17-9-12-19-20(13-17)38-14-37-19)27(35)24-21(28)22(25(29)33)31-39-24/h7-13,16,23H,2-6,14,28H2,1H3,(H2,29,33)(H,30,34)
C27H29N5O6S551.61416300
4806879

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H29N5O6S/c1-27(2)12-18-21(19(33)13-27)22(17-10-11-20(36-3)24(38-5)23(17)37-4)31-25(28-18)29-26(30-31)39-14-15-6-8-16(9-7-15)32(34)35/h6-11,22H,12-14H2,1-5H3,(H,28,29,30)
C27H29N5O6S551.61416500
7914893

Double-bond stereo
InChI=1/C27H29N5O6S/c1-18(21-6-5-7-23(16-21)29-20(3)34)30-31-27(35)17-32(24-10-12-25(38-4)13-11-24)39(36,37)26-14-8-22(9-15-26)28-19(2)33/h5-16H,17H2,1-4H3,(H,28,33)(H,29,34)(H,31,35)/b30-18+
C27H29N5O6S551.61415400
9072193
InChI=1/C27H29N5O6S/c1-27(2,3)19-10-12-22(13-11-19)39(33,34)32-25-24(38-21-8-5-7-20(17-21)35-4)26(29-18-28-25)37-16-15-36-23-9-6-14-30-31-23/h5-14,17-18H,15-16H2,1-4H3,(H,28,29,32)
C27H29N5O6S551.61415400
9938059
InChI=1/C27H29N5O6S/c1-27(2,3)19-8-10-22(11-9-19)39(33,34)32-25-24(38-21-7-5-6-20(16-21)35-4)26(31-18-30-25)37-15-14-36-23-17-28-12-13-29-23/h5-13,16-18H,14-15H2,1-4H3,(H,30,31,32)
C27H29N5O6S551.61415400
9988303
InChI=1/C27H29N5O6S/c1-27(2,3)19-8-10-22(11-9-19)39(33,34)32-25-24(38-21-7-5-6-20(16-21)35-4)26(31-18-30-25)37-15-14-36-23-12-13-28-17-29-23/h5-13,16-18H,14-15H2,1-4H3,(H,30,31,32)
C27H29N5O6S551.61415400
10002418
InChI=1/C27H29N5O6S/c1-27(2,3)19-9-11-22(12-10-19)39(33,34)32-24-23(38-21-8-5-7-20(17-21)35-4)25(31-18-30-24)36-15-16-37-26-28-13-6-14-29-26/h5-14,17-18H,15-16H2,1-4H3,(H,30,31,32)
C27H29N5O6S551.61415400
30740255
InChI=1/C25H27N5O2S.C2H2O4/c31-24(28-25-26-12-15-33-25)17-29-13-10-19(11-14-29)16-30-22-9-5-4-8-21(22)27-23(30)18-32-20-6-2-1-3-7-20;3-1(4)2(5)6/h1-9,12,15,19H,10-11,13-14,16-18H2,(H,26,28,31);(H,3,4)(H,5,6)
C27H29N5O6S551.61415400
13016373

Double-bond stereo
InChI=1/C27H29N5O6S/c1-19-4-8-23(9-5-19)30-27(35)18-38-24-12-6-21(7-13-24)16-28-31-26(34)17-32(3)39(36,37)25-14-10-22(11-15-25)29-20(2)33/h4-16H,17-18H2,1-3H3,(H,29,33)(H,30,35)(H,31,34)/b28-16-
C27H29N5O6S551.61415200
156725

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H29N5O6S/c28-25(29)19-9-7-17(8-10-19)14-22(26(34)32-13-3-6-23(32)27(35)36)31-24(33)16-30-39(37,38)21-12-11-18-4-1-2-5-20(18)15-21/h1-2,4-5,7-12,15,22-23,30H,3,6,13-14,16H2,(H3,28,29)(H,31,33)(H,35,36)/t22-,23-/m0/s1
C27H29N5O6S551.61414400
12345

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