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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 16 results

Search term: C18H22Cl2N4O5S (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4115199
InChI=1/C18H22Cl2N4O5S/c1-2-9-29-17(28)8-7-15(26)22-18(30)24-23-16(27)6-5-14(25)21-13-4-3-11(19)10-12(13)20/h3-4,10H,2,5-9H2,1H3,(H,21,25)(H,23,27)(H2,22,24,26,30)
C18H22Cl2N4O5S477.362087400
34559107

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H22Cl2N4O5S/c1-8-12(19)13(20)14(21-8)16(25)22-9-4-5-24(6-11(9)29-3)18-23-10(7-28-2)15(30-18)17(26)27/h9,11,21H,4-7H2,1-3H3,(H,22,25)(H,26,27)/t9-,11+/m1/s1
C18H22Cl2N4O5S477.36214400
58109163

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H22Cl2N4O5S/c1-9-13(19)14(20)15(22-9)16(25)23-10-3-4-24(8-11(10)29-6-5-28-2)18-21-7-12(30-18)17(26)27/h7,10-11,22H,3-6,8H2,1-2H3,(H,23,25)(H,26,27)/t10-,11+/m1/s1
C18H22Cl2N4O5S477.36213300
69718691

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H22Cl2N4O5S/c1-11(14-5-4-13(19)8-15(14)20)22-16(25)10-29-18(26)6-7-21-30(27,28)17-9-24(3)12(2)23-17/h4-5,8-9,11,21H,6-7,10H2,1-3H3,(H,22,25)
C18H22Cl2N4O5S477.36212200
71044310

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H22Cl2N4O5S/c1-2-4-23(18(28)24-5-3-22-10-24)6-7-29-15-11(19)8-13(25)16(14(15)20)30-9-12(21)17(26)27/h3,5,8,10,12,25H,2,4,6-7,9,21H2,1H3,(H,26,27)
C18H22Cl2N4O5S477.36212600
10168746

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H22Cl2N4O5S/c1-8-12(19)13(20)14(21-8)16(25)22-9-4-5-24(6-11(9)29-3)18-23-10(7-28-2)15(30-18)17(26)27/h9,11,21H,4-7H2,1-3H3,(H,22,25)(H,26,27)
C18H22Cl2N4O5S477.36212100
32936350
InChI=1/C18H22Cl2N4O5S/c1-3-5-7-23(13-15(21)24(6-4-2)18(28)22-16(13)26)12(25)9-29-17(27)10-8-11(19)30-14(10)20/h8H,3-7,9,21H2,1-2H3,(H,22,26,28)
C18H22Cl2N4O5S477.36212200
33549205
InChI=1/C18H22Cl2N4O5S/c1-2-21-6-7-23(18(27)17(21)26)12-15(25)22-8-10-24(11-9-22)30(28,29)16-13(19)4-3-5-14(16)20/h3-5H,2,6-12H2,1H3
C18H22Cl2N4O5S477.36212200
32961062
InChI=1/C18H22Cl2N4O5S/c1-2-29-17(25)13-10-21-18(26)22-15(13)11-23-5-7-24(8-6-23)30(27,28)16-9-12(19)3-4-14(16)20/h3-4,9H,2,5-8,10-11H2,1H3,(H2,21,22,26)
C18H22Cl2N4O5S477.36211100
32963278
InChI=1/C18H22Cl2N4O5S/c1-21-12-17(26)24(18(21)27)6-2-3-16(25)22-7-9-23(10-8-22)30(28,29)15-11-13(19)4-5-14(15)20/h4-5,11H,2-3,6-10,12H2,1H3
C18H22Cl2N4O5S477.36211100
95613160
InChI=1/C18H22Cl2N4O5S/c1-2-4-23(18(28)24-5-3-22-10-24)6-7-29-15-11(19)8-13(25)16(14(15)20)30-9-12(21)17(26)27/h3,5,8,10,25-27H,2,4,6-7,9,21H2,1H3
C18H22Cl2N4O5S477.36211100
95690578

Double-bond stereo
InChI=1/C18H22Cl2N4O5S/c1-2-4-23(18(28)24-5-3-22-10-24)6-7-29-15-11(19)8-13(25)16(14(15)20)30-9-12(21)17(26)27/h3,5,8,10,17,21,25-27H,2,4,6-7,9H2,1H3
C18H22Cl2N4O5S477.36211100
102829672
InChI=1/C18H22Cl2N4O5S/c1-28-16-11-15(21-18(22-16)29-2)23-30(26,27)14-7-5-13(6-8-14)24(17(25)12-20)10-4-3-9-19/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,22,23)
C18H22Cl2N4O5S477.36211100
115089741
InChI=1/C18H22Cl2N4O5S/c1-12-22-16(10-23(12)2)30(27,28)21-7-6-18(26)29-11-17(25)24(3)9-13-4-5-14(19)15(20)8-13/h4-5,8,10,21H,6-7,9,11H2,1-3H3
C18H22Cl2N4O5S477.36211100
128144351
InChI=1/C18H22Cl2N4O5S/c1-4-23(5-2)30(27,28)15-9-12(7-8-14(15)29-6-3)22-16(25)11-24-18(26)17(20)13(19)10-21-24/h7-10H,4-6,11H2,1-3H3,(H,22,25)
C18H22Cl2N4O5S477.36211100
128593192
InChI=1/C18H22Cl2N4O5S/c1-5-24(6-2)30(27,28)12-7-8-13(19)14(9-12)21-15(25)10-29-18(26)16-11(3)22-23(4)17(16)20/h7-9H,5-6,10H2,1-4H3,(H,21,25)
C18H22Cl2N4O5S477.36211100

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