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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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Isotopically Labeled
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Found 10 results

Search term: C33H47NO (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4940722

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C33H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33(35)34-32(31-21-18-17-19-22-31)28-30-26-24-29(2)25-27-30/h7-8,10-11,17-19,21-22,24-27,32H,3-6,9,12-16,20,23,28H2,1-2H3,(H,34,35)/b8-7-,11-10-/t32-/m0/s1
C33H47NO473.7324172000
8498102

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33(35)34-32(31-21-18-17-19-22-31)28-30-26-24-29(2)25-27-30/h7-8,10-11,17-19,21-22,24-27,32H,3-6,9,12-16,20,23,28H2,1-2H3,(H,34,35)/b8-7-,11-10-
C33H47NO473.7324121000
4703809

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33(35)34-32(31-21-18-17-19-22-31)28-30-26-24-29(2)25-27-30/h7-8,10-11,17-19,21-22,24-27,32H,3-6,9,12-16,20,23,28H2,1-2H3,(H,34,35)/b8-7+,11-10+
C33H47NO473.73247900
291280

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33(35)34-32(31-21-18-17-19-22-31)28-30-26-24-29(2)25-27-30/h7-8,10-11,17-19,21-22,24-27,32H,3-6,9,12-16,20,23,28H2,1-2H3,(H,34,35)
C33H47NO473.73243200
551466

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C33H47NO/c1-20(2)9-8-10-21(3)25-13-14-26-23-17-31(35)28-18-30-24(22-11-6-7-12-29(22)34-30)19-33(28,5)27(23)15-16-32(25,26)4/h6-7,11-12,20-21,23,25-28,34H,8-10,13-19H2,1-5H3
C33H47NO473.73243400
23242699

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-32(35)34-28-31(29-23-18-16-19-24-29)33(34)30-25-20-17-21-26-30/h9-10,16-21,23-26,31,33H,2-8,11-15,22,27-28H2,1H3/b10-9-/t31-,33-/m1/s1
C33H47NO473.73242200
24825882

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H47NO/c1-7-9-11-13-19-34(20-14-12-10-8-2)26(6)33(35)29-21-25(5)30-17-16-28-22-27(24(3)4)15-18-31(28)32(30)23-29/h15-18,21-24,26H,7-14,19-20H2,1-6H3
C33H47NO473.73241100
24840109

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C33H47NO/c1-24-30-19-18-28(23-27-13-9-12-26(22-27)17-16-25-10-5-3-6-11-25)32(33(30,2)21-20-31(24)35)34-29-14-7-4-8-15-29/h9,12-13,22-25,29-32,34-35H,3-8,10-11,14-15,18-21H2,1-2H3/t24?,30?,31?,32?,33-/m0/s1
C33H47NO473.73241100
32773402

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33(35)34-32(31-21-18-17-19-22-31)28-30-26-24-29(2)25-27-30/h7-8,10-11,17-19,21-22,24-27,32H,3-6,9,12-16,20,23,28H2,1-2H3,(H,34,35)/b8-7+,11-10-
C33H47NO473.73241100
129121340

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C33H47NO/c1-5-7-31-24-34(23-26(31)3)32(35)8-6-19-33(4)20-17-28(18-21-33)22-27-11-15-30(16-12-27)29-13-9-25(2)10-14-29/h5,7,11-12,15-16,25,28-29H,1,3,6,8-10,13-14,17-24H2,2,4H3
C33H47NO473.73241100

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