Matches any text strings used to describe a molecule.
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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Isotopically Labeled
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Found 115 results

Search term: C33H45N5O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
515264

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C33H45N5O5/c1-7-31(4,5)27-29(40)37-13-9-12-25(37)33(42)38(27)30(41)32(43-33,18(2)3)35-28(39)20-14-22-21-10-8-11-23-26(21)19(16-34-23)15-24(22)36(6)17-20/h8,10-11,16,18,20,22,24-25,27,34,42H,7,9,12-15,17H2,1-6H3,(H,35,39)
C33H45N5O5591.740971730
90615289

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H45N5O5/c1-37-23-31(41)36-28(12-7-8-16-35-33(43)24-9-3-2-4-10-24)20-30(40)34-17-14-26-21-38(18-15-25(26)19-32(37)42)22-27-11-5-6-13-29(27)39/h2-6,9-11,13,25-26,28,39H,7-8,12,14-23H2,1H3,(H,34,40)(H,35,43)(H,36,41)/t25-,26-,28-/m0/s1
C33H45N5O5591.74094200
113604687

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H45N5O5/c1-23(2)20-28-30(40)35-26-12-19-43-21-24(26)8-5-6-13-33(32(42)36-28)14-17-37(18-15-33)29(39)11-7-16-38-22-34-27-10-4-3-9-25(27)31(38)41/h3-6,9-10,22-24,26,28H,7-8,11-21H2,1-2H3,(H,35,40)(H,36,42)/b6-5+/t24-,26+,28-/m1/s1
C33H45N5O5591.74093300
26376255
InChI=1/C33H45N5O5/c1-31(2,3)25-14-12-24(13-15-25)28(40)36-20-16-33(17-21-36)29(41)37(23-38(33)26-10-8-7-9-11-26)22-27(39)34-18-19-35-30(42)43-32(4,5)6/h7-15H,16-23H2,1-6H3,(H,34,39)(H,35,42)
C33H45N5O5591.74093300
30820827

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H45N5O5/c1-23(39)31(32(34)42)36-33(43)27-10-12-29(35-22-27)37-18-14-24(15-19-37)6-5-7-25-16-20-38(21-17-25)30(41)13-11-28(40)26-8-3-2-4-9-26/h2-4,8-10,12,22-25,31,39H,5-7,11,13-21H2,1H3,(H2,34,42)(H,36,43)
C33H45N5O5591.74093300
34897211

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H45N5O5/c39-19-13-25-5-1-3-15-37(25)17-11-31(41)34-23-8-10-29-28(21-23)33(43)27-9-7-24(22-30(27)36-29)35-32(42)12-18-38-16-4-2-6-26(38)14-20-40/h7-10,21-22,25-26,39-40H,1-6,11-20H2,(H,34,41)(H,35,42)(H,36,43)
C33H45N5O5591.74093300
58130198

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H45N5O5/c1-20(2)26(27(39)30(41)34-17-22-13-15-23(16-14-22)18-37(7)8)36-29(40)21(3)35-31(42)28(33(4,5)6)38-19-24-11-9-10-12-25(24)32(38)43/h9-16,20-21,26,28H,17-19H2,1-8H3,(H,34,41)(H,35,42)(H,36,40)/t21-,26-,28+/m0/s1
C33H45N5O5591.74093300
80820585

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H45N5O5/c1-23(2)19-28-33(42)37(3)17-18-43-29-10-6-5-9-26(29)31(40)36-27(20-30(39)35-28)32(41)34-21-24-11-13-25(14-12-24)22-38-15-7-4-8-16-38/h5-6,9-14,23,27-28H,4,7-8,15-22H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t27-,28-/m0/s1
C33H45N5O5591.74093300
80820796

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H45N5O5/c1-4-23(2)30-33(42)37(3)18-19-43-28-11-7-6-10-26(28)31(40)35-27(20-29(39)36-30)32(41)34-21-24-12-14-25(15-13-24)22-38-16-8-5-9-17-38/h6-7,10-15,23,27,30H,4-5,8-9,16-22H2,1-3H3,(H,34,41)(H,35,40)(H,36,39)/t23-,27-,30-/m0/s1
C33H45N5O5591.74093300
80821805

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H45N5O5/c1-33(2)32(42)35-25(21-24-13-6-5-7-14-24)23-43-28-16-9-8-15-26(28)30(40)36-27(22-29(39)37-33)31(41)34-17-12-20-38-18-10-3-4-11-19-38/h5-9,13-16,25,27H,3-4,10-12,17-23H2,1-2H3,(H,34,41)(H,35,42)(H,36,40)(H,37,39)/t25-,27+/m1/s1
C33H45N5O5591.74093300
80822682

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H45N5O5/c1-4-37-18-10-13-25(37)19-34-33(42)27-16-17-31(40)38(20-24-11-6-5-7-12-24)21-30(39)35-28(23(2)3)22-43-29-15-9-8-14-26(29)32(41)36-27/h5-9,11-12,14-15,23,25,27-28H,4,10,13,16-22H2,1-3H3,(H,34,42)(H,35,39)(H,36,41)/t25-,27-,28+/m0/s1
C33H45N5O5591.74093300
80822687

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H45N5O5/c1-24(2)28-23-43-29-14-8-7-13-26(29)32(41)36-27(33(42)34-17-20-37-18-9-4-10-19-37)15-16-31(40)38(22-30(39)35-28)21-25-11-5-3-6-12-25/h3,5-8,11-14,24,27-28H,4,9-10,15-23H2,1-2H3,(H,34,42)(H,35,39)(H,36,41)/t27-,28+/m0/s1
C33H45N5O5591.74093300
80827440

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H45N5O5/c1-4-38-18-19-43-29-13-9-8-12-26(29)31(40)36-27(21-30(39)35-28(33(38)42)20-23(2)3)32(41)34-25-14-16-37(17-15-25)22-24-10-6-5-7-11-24/h5-13,23,25,27-28H,4,14-22H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)/t27-,28+/m0/s1
C33H45N5O5591.74093300
80831072

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H45N5O5/c1-36-19-21-38(22-20-36)33(42)27-16-17-30(39)34-28(24-25-12-6-5-7-13-25)32(41)37(2)18-10-3-4-11-23-43-29-15-9-8-14-26(29)31(40)35-27/h5-9,12-15,27-28H,3-4,10-11,16-24H2,1-2H3,(H,34,39)(H,35,40)/t27-,28-/m0/s1
C33H45N5O5591.74093300
80831073

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H45N5O5/c1-36-19-21-38(22-20-36)33(42)27-16-17-30(39)37(2)28(24-25-12-6-5-7-13-25)32(41)34-18-10-3-4-11-23-43-29-15-9-8-14-26(29)31(40)35-27/h5-9,12-15,27-28H,3-4,10-11,16-24H2,1-2H3,(H,34,41)(H,35,40)/t27-,28-/m0/s1
C33H45N5O5591.74093300
80831078

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H45N5O5/c1-35-18-20-38(21-19-35)32(41)27-24-30(39)37(3)28(23-25-13-7-6-8-14-25)33(42)36(2)17-11-4-5-12-22-43-29-16-10-9-15-26(29)31(40)34-27/h6-10,13-16,27-28H,4-5,11-12,17-24H2,1-3H3,(H,34,40)/t27-,28-/m0/s1
C33H45N5O5591.74093300
30818321

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H45N5O5/c1-23(39)30(31(34)42)36-33(43)27-11-6-18-35-32(27)38-21-16-25(17-22-38)8-5-7-24-14-19-37(20-15-24)29(41)13-12-28(40)26-9-3-2-4-10-26/h2-4,6,9-11,18,23-25,30,39H,5,7-8,12-17,19-22H2,1H3,(H2,34,42)(H,36,43)
C33H45N5O5591.74092200
8161477

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C33H45N5O5/c1-22(32(42)35-26-13-8-5-9-14-26)34-21-30(40)29(17-24-11-6-4-7-12-24)36-33(43)25-18-27(37(3)23(2)39)20-28(19-25)38-16-10-15-31(38)41/h4,6-7,11-12,18-20,22,26,29-30,34,40H,5,8-10,13-17,21H2,1-3H3,(H,35,42)(H,36,43)/t22-,29?,30+/m0/s1
C33H45N5O5591.74092100
8342928

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C33H45N5O5/c1-5-11-26-30-31(37(4)36-26)33(41)38(29(7-3)35-30)18-20-42-25-16-14-23(15-17-25)21-28(43-19-6-2)32(40)34-27(22-39)24-12-9-8-10-13-24/h8-10,12-17,27-28,30-31,39H,5-7,11,18-22H2,1-4H3,(H,34,40)/t27-,28+,30?,31?/m1/s1
C33H45N5O5591.74092100
8465419
InChI=1/C33H45N5O5/c1-21-18-24-25(33(4,5)43-32(24,2)3)20-22(21)19-23-12-13-26(42-23)28(39)35-27-29(40-6)36-31(37-30(27)41-7)34-14-11-17-38-15-9-8-10-16-38/h12-13,18,20H,8-11,14-17,19H2,1-7H3,(H,35,39)(H,34,36,37)
C33H45N5O5591.74092100
12345

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