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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
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Found 250 results

Search term: C33H35N5O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7930

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
C33H35N5O5581.66156610831485280
103118

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25+,26-,27-,32+,33-/m0/s1
C33H35N5O5581.6615192502
4159585
InChI=1/C33H35N5O5/c1-42-29-12-6-5-11-26(29)32(40)34-27-21-23(13-14-28(27)36-17-19-43-20-18-36)31-24-9-3-4-10-25(24)33(41)38(35-31)22-30(39)37-15-7-2-8-16-37/h3-6,9-14,21H,2,7-8,15-20,22H2,1H3,(H,34,40)
C33H35N5O5581.661499999998191300
22151332
InChI=1/C33H35N5O5/c1-22-17-23(2)38(35-22)26-8-5-7-24(18-26)33(39)37(21-27-9-6-14-43-27)20-25-19-28-29(40-3)10-11-30(41-4)31(28)34-32(25)36-12-15-42-16-13-36/h5-11,14,17-19H,12-13,15-16,20-21H2,1-4H3
C33H35N5O5581.66158600
22676657
InChI=1/C33H35N5O5/c1-41-27-11-7-10-26(20-27)33(40)38(22-24-8-5-4-6-9-24)23-32(39)37-18-16-36(17-19-37)31-15-13-28(34-35-31)25-12-14-29(42-2)30(21-25)43-3/h4-15,20-21H,16-19,22-23H2,1-3H3
C33H35N5O5581.66157600
22677572
InChI=1/C33H35N5O5/c1-41-27-12-9-25(10-13-27)33(40)38(22-24-7-5-4-6-8-24)23-32(39)37-19-17-36(18-20-37)31-16-14-28(34-35-31)26-11-15-29(42-2)30(21-26)43-3/h4-16,21H,17-20,22-23H2,1-3H3
C33H35N5O5581.66157600
22859591

Double-bond stereo
InChI=1/C33H35N5O5/c1-41-18-15-29(39)37-30-27-19-24(34-16-6-7-22-10-12-25(42-2)13-11-22)21-36-32(27)38(31(30)33(40)43-3)17-14-23-20-35-28-9-5-4-8-26(23)28/h4-13,19-21,34-35H,14-18H2,1-3H3,(H,37,39)/b7-6+
C33H35N5O5581.66157700
21555870
InChI=1/C33H35N5O5/c1-41-28-12-9-27(10-13-28)38-33(40)31(30(22-35-38)43-29-11-8-23-4-2-5-24(23)21-29)36-26-7-3-6-25(20-26)32(39)34-14-15-37-16-18-42-19-17-37/h3,6-13,20-22,36H,2,4-5,14-19H2,1H3,(H,34,39)
C33H35N5O5581.66157600
21556420
InChI=1/C33H35N5O5/c1-22(2)25-6-5-7-29(20-25)43-30-21-34-38(27-12-14-28(42-4)15-13-27)33(41)31(30)35-26-10-8-24(9-11-26)32(40)37-18-16-36(17-19-37)23(3)39/h5-15,20-22,35H,16-19H2,1-4H3
C33H35N5O5581.66156500
4980799

Double-bond stereo
InChI=1/C33H35N5O5/c39-29(40)13-8-22-6-10-25(11-7-22)35-32(42)33(15-17-34-18-16-33)37-31(41)23-9-12-28-27(20-23)36-30(24-14-19-43-21-24)38(28)26-4-2-1-3-5-26/h6-14,19-21,26,34H,1-5,15-18H2,(H,35,42)(H,37,41)(H,39,40)/b13-8+
C33H35N5O5581.66156500
8730652

Double-bond stereo
InChI=1/C33H35N5O5/c1-20-10-16-26(21(2)25(20)19-43-28-9-7-8-27-31(28)36-32(22(3)39)38(27)6)37(5)30(41)18-35-29(40)17-13-23-11-14-24(15-12-23)33(42)34-4/h7-17H,18-19H2,1-6H3,(H,34,42)(H,35,40)/b17-13+
C33H35N5O5581.66155400
9824715

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C33H35N5O5/c1-42-28-19-26-27(34-21-23-7-4-10-37(23)33(26)41)20-29(28)43-18-17-36-13-11-35(12-14-36)15-16-38-31(39)24-8-2-5-22-6-3-9-25(30(22)24)32(38)40/h2-3,5-6,8-9,19-21,23H,4,7,10-18H2,1H3/t23-/m0/s1
C33H35N5O5581.66155400
10025949
InChI=1/C33H35N5O5/c1-21-26(6-5-7-27(21)36-30(39)22-8-12-24(13-9-22)33(2,3)42)28-20-37(4)32(41)29(35-28)34-25-14-10-23(11-15-25)31(40)38-16-18-43-19-17-38/h5-15,20,42H,16-19H2,1-4H3,(H,34,35)(H,36,39)
C33H35N5O5581.66155400
10128519

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25?,26+,27?,32-,33+/m1/s1
C33H35N5O5581.66155400
28949255
InChI=1/C33H35N5O5/c1-3-36(4-2)25-12-10-24(11-13-25)31(39)34-38-21-28(26-7-5-6-8-27(26)33(38)41)32(40)37-17-15-35(16-18-37)20-23-9-14-29-30(19-23)43-22-42-29/h5-14,19,21H,3-4,15-18,20,22H2,1-2H3,(H,34,39)
C33H35N5O5581.66155400
65061107

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H35N5O5/c34-17-21-1-3-22(4-2-21)19-38-20-25-16-28(38)33(41)36-18-31-29(39)8-6-26(43-31)11-14-42-30-15-24(23-9-12-35-13-10-23)5-7-27(30)32(40)37-25/h1-5,7,9-10,12-13,15,25-26,28-29,31,39H,6,8,11,14,16,18-20H2,(H,36,41)(H,37,40)/t25-,26-,28-,29-,31+/m0/s1
C33H35N5O5581.66155300
107748445

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H35N5O5/c1-41-29-18-21-7-10-31(39)34-13-15-38(30-20-35-26-5-3-4-6-27(26)36-30)14-11-32(40)37-25-12-16-43-28-9-8-22(19-24(25)28)23(17-21)33(29)42-2/h3-6,8-9,17-20,25H,7,10-16H2,1-2H3,(H,34,39)(H,37,40)
C33H35N5O5581.66154400
107753777

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H35N5O5/c1-42-30-11-10-23(18-36-30)33(41)38-20-27-22-6-4-7-25(16-22)43-15-5-13-37(14-12-34-32(40)28(27)21-38)31(39)17-24-19-35-29-9-3-2-8-26(24)29/h2-4,6-11,16,18-19,27-28,35H,5,12-15,17,20-21H2,1H3,(H,34,40)/t27-,28+/m1/s1
C33H35N5O5581.66154400
107756772

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H35N5O5/c1-36-20-24(19-34)17-28(36)33(41)37-14-6-13-35-32(40)27-22-38(31(39)12-9-23-7-4-3-5-8-23)21-26(27)25-10-11-29(42-2)30(18-25)43-16-15-37/h3-5,7-12,17-18,20,26-27H,6,13-16,21-22H2,1-2H3,(H,35,40)/b12-9+/t26-,27+/m1/s1
C33H35N5O5581.66154400
4573331

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C33H35N5O5/c1-22(19-23(2)31(39)34-20-29-24(3)36-38(37-29)28-13-9-6-10-14-28)30(26-15-17-27(18-16-26)32(40)42-4)35-33(41)43-21-25-11-7-5-8-12-25/h5-19,23,30H,20-21H2,1-4H3,(H,34,39)(H,35,41)/b22-19+/t23-,30?/m1/s1
C33H35N5O5581.66154400
12345

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