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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 27 results

Search term: C16H17N5O7S2 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4674877

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
C16H17N5O7S2455.4655719900
4586392

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
C16H17N5O7S2455.46553948612332
4514725

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+
C16H17N5O7S2455.465525394600
4746908

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-
C16H17N5O7S2455.4655171600
401749

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/t10-,14-/m1/s1
C16H17N5O7S2455.4655141230
17460542

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-4-7-5-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-3-18-16(17)30-8/h3,10,14H,4-5H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
C16H17N5O7S2455.465512700
2532

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)
C16H17N5O7S2455.4655101200
5022831

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m0/s1
C16H17N5O7S2455.46557700
17462298

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14?/m1/s1
C16H17N5O7S2455.46556500
26375411

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14?/m0/s1
C16H17N5O7S2455.46555400
8044305

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10?,14-/m0/s1
C16H17N5O7S2455.46554700
23173872

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14?/m1/s1
C16H17N5O7S2455.46554400
4514731

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m0/s1
C16H17N5O7S2455.46554300
5036389

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14+/m1/s1
C16H17N5O7S2455.46553300
23127640

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-4-7-5-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-3-18-16(17)30-8/h3,10,14H,4-5H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
C16H17N5O7S2455.46553200
5290201

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14+/m1/s1
C16H17N5O7S2455.465482100
5883520

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14+/m0/s1
C16H17N5O7S2455.46552100
8044304

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H17N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5-6,10-11,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-
C16H17N5O7S2455.46552100
2525277

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-4-7-5-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-3-18-16(17)30-8/h3,10,14H,4-5H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)
C16H17N5O7S2455.46552100
35312029

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H17N5O7S2/c1-6(22)28-4-7-5-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-3-18-16(17)30-8/h3,10,14H,4-5H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/t10-,14-/m1/s1
C16H17N5O7S2455.46551100
12

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