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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 13 results

Search term: BJKHCHNVSUFKBF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16736724

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-,30-29+/t16-,20-/m0/s1
C33H32N4O5564.6311417015
22529584

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-,30-29+
C33H32N4O5564.6316400
110417455

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11+,22-12+,23-11-,24-13-,25-12-,26-13-,30-29+/t16-,20-/m0/s1
C33H32N4O5564.6312200
72382982

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11-,22-12+,23-11-,24-13+,25-12-,26-13-,30-29+
C33H32N4O5564.6312200
78317785

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11-,22-12-,23-11-,24-13+,25-12-,26-13-,30-29+/t16-,20-/m0/s1
C33H32N4O5564.6312300
81364684

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11+,22-12-,23-11-,24-13-,25-12+,26-13-,30-29+
C33H32N4O5564.6312200
95501316

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11-,22-12-,23-11+,24-13-,25-12+,26-13-,30-29+
C33H32N4O5564.6311100
103847849

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11+,22-12+,23-11-,24-13-,25-12-,26-13-,30-29+
C33H32N4O5564.6311100
107450963

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11-,22-12-,23-11+,24-13+,25-12-,26-13-,30-29+/t16-,20-/m1/s1
C33H32N4O5564.6311100
111334220

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11-,22-12+,23-11-,24-13-,25-12-,26-13+,30-29+
C33H32N4O5564.6311100
113613723

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11-,22-12-,23-11+,24-13-,25-12-,26-13-,30-29-/t16-,20-/m0/s1
C33H32N4O5564.6311100
58131839

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11-,22-12-,23-11-,24-13+,25-12-,26-13+,30-29+/t16-,20-/m0/s1
C33H32N4O5564.6311100

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