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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 43 results

Search term: ZXQYGBMAQZUVMI (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4944812

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1
C23H19ClF3NO3449.8501477800
4445166

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-
C23H19ClF3NO3449.85006964010113931339
4944815

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m1/s1
C23H19ClF3NO3449.8501394800
4940261

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18?,20-/m0/s1
C23H19ClF3NO3449.850124291119277
28599760

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17?,18-,20?/m0/s1
C23H19ClF3NO3449.850115900
4944814

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18-,20-/m1/s1
C23H19ClF3NO3449.8501141510
4944813

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18-,20-/m0/s1
C23H19ClF3NO3449.8501131300
391347

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3
C23H19ClF3NO3449.85017700
4939846

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18?,20-/m1/s1
C23H19ClF3NO3449.85017600
8519181

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12+
C23H19ClF3NO3449.85015100
9480454

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18-,20+/m1/s1
C23H19ClF3NO3449.85015400
21469969

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12+/t17-,18-,20-/m1/s1
C23H19ClF3NO3449.85014300
49070950

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1/i3D,4D,5D,8D,9D
C23H14D5ClF3NO3454.88094600
76043447

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17?,18-,20?/m0/s1
C23H19ClF3NO3449.85013300
23498824

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12+/t17-,18?,20+/m1/s1
C23H19ClF3NO3449.85013148315
28604971

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18?,20+/m1/s1
C23H19ClF3NO3449.85012100
32787456

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18-,20+/m0/s1
C23H19ClF3NO3449.85012100
32787457

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20+/m1/s1
C23H19ClF3NO3449.85012100
8586876

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12+/t17-,18?,20-/m1/s1
C23H19ClF3NO3449.85012100
123

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