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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
Additional Filters

Found 25 results

Search term: UURAUHCOJAIIRQ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
571196

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1
C28H47NO4S493.7421525900
16736199

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19?,20-,22+,24-,25-,26+,27?,28-/m0/s1
C28H47NO4S493.7421161400
28637990

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27-,28-/m1/s1
C28H47NO4S493.7421161900
391759

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19?,20-,22+,24-,25-,26+,27-,28-/m0/s1
C28H47NO4S493.7421141200
26943870

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24?,25+,26-,27-,28+/m1/s1
C28H47NO4S493.74219400
28475378

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27-,28+/m1/s1
C28H47NO4S493.74219700
3712921

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3
C28H47NO4S493.742080000001619200
58822

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27?,28?/m1/s1
C28H47NO4S493.74215500
8002786

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19?,20-,22+,24-,25-,26+,27+,28-/m0/s1
C28H47NO4S493.74214200
10310822

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24-,25+,26-,27+,28+/m1/s1
C28H47NO4S493.74214300
13096538

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24?,25+,26-,27+,28?/m1/s1
C28H47NO4S493.74212200
37767

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24-,25+,26-,27?,28?/m1/s1
C28H47NO4S493.74212200
21432805

Charge

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/p+1
C28H48NO4S494.74952200
32697359

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20-,22+,24-,25-,26+,27+,28-/m0/s1
C28H47NO4S493.74212100
64855046

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19?,20-,22+,24-,25-,26+,27+,28+/m0/s1
C28H47NO4S493.74212200
78362000

6 of 8 defined stereocentres - 6/8 defined

Non-standard isotope
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19?,20-,22+,24-,25-,26+,27-,28?/m0/s1/i2D3,3D3,9D2,10D2
C28H37D10NO4S503.80371100
78431614

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19?,20?,22?,24-,25?,26-,27-,28+/m1/s1
C28H47NO4S493.74211100
98609013

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20-,22+,24-,25-,26+,27-,28?/m0/s1
C28H47NO4S493.74211100
113607761

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22+,24+,25+,26-,27-,28+/m1/s1
C28H47NO4S493.74211100
114814884

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24-,25+,26-,27+,28-/m1/s1
C28H47NO4S493.74211100
12

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