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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 5 results

Search term: QBPCOMNNISRCTC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
27981

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;
C35H32MgN4O5612.9573799999994400
388880

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1
C35H32MgN4O5612.9573799999992200
24784674

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/b22-12-,23-13?,24-12-,25-14-,26-13?,27-14-,32-30-;/rC35H32MgN4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(41)42)32-30-31(35(44)45-7)34(43)29-18(6)25-14-27-20(9-2)16(4)23-13-26(19)37(22)36(38(23)27,39(24)32)40(25)33(29)30/h8,12-14,31H,1,9-11H2,2-7H3,(H,41,42)/p-1
C35H31MgN4O5611.949441100
34999241

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1/rC35H32MgN4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(41)42)32-30-31(35(44)45-7)34(43)29-18(6)25-14-27-20(9-2)16(4)23-13-26(19)37(22)36(38(23)27,39(24)32)40(25)33(29)30/h8,12-14,31H,1,9-11H2,2-7H3,(H,41,42)/t31-/m1/s1
C35H32MgN4O5612.95741100
34999245

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1/rC35H32MgN4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(41)42)32-30-31(35(44)45-7)34(43)29-18(6)25-14-27-20(9-2)16(4)23-13-26(19)37(22)36(38(23)27,39(24)32)40(25)33(29)30/h8,12-14,31H,1,9-11H2,2-7H3,(H,41,42)/p-1/t31-/m1/s1
C35H31MgN4O5611.951100

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