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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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Single/Multi-component
Isotopically Labeled
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Found 27 results

Search term: C40H48O4 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
325121
InChI=1/C40H48O4/c1-21(2)25-9-29-17-31-11-26(22(3)4)13-33(38(31)42)19-35-15-28(24(7)8)16-36(40(35)44)20-34-14-27(23(5)6)12-32(39(34)43)18-30(10-25)37(29)41/h9-16,21-24,41-44H,17-20H2,1-8H3
C40H48O4592.8067272100
2015264

InChI=1/C40H48O4/c1-5-21-41-37-29-13-9-14-30(37)26-32-16-11-18-34(39(32)43-23-7-3)28-36-20-12-19-35(40(36)44-24-8-4)27-33-17-10-15-31(25-29)38(33)42-22-6-2/h9-20H,5-8,21-28H2,1-4H3
C40H48O4592.806719999998252200
16735681

Double-bond stereo
InChI=1/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
C40H48O4592.8067151819513
2007124
InChI=1/C40H48O4/c1-17-29-13-31-18(2)33(25(9)38(42)23(31)7)15-35-20(4)36(28(12)40(44)27(35)11)16-34-19(3)32(24(8)39(43)26(34)10)14-30(17)22(6)37(41)21(29)5/h41-44H,13-16H2,1-12H3
C40H48O4592.806719999998141000
3504100

InChI=1/C40H48O4/c1-5-21-37(22-6-1)29-13-15-31(41-29)38(23-7-2-8-24-38)33-17-19-35(43-33)40(27-11-4-12-28-40)36-20-18-34(44-36)39(25-9-3-10-26-39)32-16-14-30(37)42-32/h13-20H,1-12,21-28H2
C40H48O4592.8067199999989700
27472346
InChI=1/C32H32.C8H16O4/c1-32(2,3)31-14-13-29-20-27-10-5-9-25(18-27)16-23-7-4-8-24(15-23)17-26-11-6-12-28(19-26)21-30(31)22-29;1-2-10-5-6-12-8-7-11-4-3-9-1/h4-15,18-19,22H,16-17,20-21H2,1-3H3;1-8H2
C40H48O4592.80678500
10189510

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-20,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
C40H48O4592.80675600
4519829

Double-bond stereo
InChI=1/C40H48O4/c1-27(17-12-18-29(3)21-14-22-33-31(5)37(43)35(41)25-39(33,7)8)15-11-16-28(2)19-13-20-30(4)23-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-26,41-42H,1-10H3/b15-11+,18-12+,19-13+,22-14+,24-23+,27-17+,28-16+,29-21+,30-20+
C40H48O4592.80673400
9988639
InChI=1/C40H48O4/c1-41-37-21-17-29-9-5-10-30-19-23-39(43-3)35(27-30)15-8-16-36-28-32(20-24-40(36)44-4)12-6-11-31-18-22-38(42-2)34(26-31)14-7-13-33(37)25-29/h17-28H,5-16H2,1-4H3
C40H48O4592.80673100
550047
InChI=1/C40H48O4/c1-3-5-7-9-11-13-15-31-17-25-37(26-18-31)43-39(41)35-23-21-34-30-36(24-22-33(34)29-35)40(42)44-38-27-19-32(20-28-38)16-14-12-10-8-6-4-2/h17-30H,3-16H2,1-2H3
C40H48O4592.80673400
8114101

Double-bond stereo
InChI=1/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15-,28-16-,29-19-,30-20-
C40H48O4592.80672100
8275529

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C40H48O4/c1-37(26-23-33-32(35(37)41)21-22-34-38(33,2)24-14-25-39(34,3)36(42)43-4)27-28-44-40(29-15-8-5-9-16-29,30-17-10-6-11-18-30)31-19-12-7-13-20-31/h5-13,15-20,32-34H,14,21-28H2,1-4H3/t32-,33-,34?,37+,38+,39+/m0/s1
C40H48O4592.80672100
8636503

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C40H48O4/c1-37(26-23-33-32(35(37)41)21-22-34-38(33,2)24-14-25-39(34,3)36(42)43-4)27-28-44-40(29-15-8-5-9-16-29,30-17-10-6-11-18-30)31-19-12-7-13-20-31/h5-13,15-20,32-34H,14,21-28H2,1-4H3/t32-,33+,34?,37-,38-,39-/m1/s1
C40H48O4592.80672100
8730825
InChI=1/C40H48O4/c1-38(2,3)31-17-25-13-23-11-10-12-24(34(23)41)14-26-18-32(39(4,5)6)20-28(36(26)43)16-30-22-33(40(7,8)9)21-29(37(30)44)15-27(19-31)35(25)42/h10-12,17-22,41-44H,13-16H2,1-9H3
C40H48O4592.80672100
107437596

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-20,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19+,30-20+
C40H48O4592.80672200
16738761

Double-bond stereo
InChI=1/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-26,41-42H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
C40H48O4592.80672200
17246320

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C40H48O4/c1-27-22-23-33-35-36(44-35)38(2)26-28(37(41)42-4)25-34(38)39(33,3)32(27)21-14-24-43-40(29-15-8-5-9-16-29,30-17-10-6-11-18-30)31-19-12-7-13-20-31/h5-13,15-20,27-28,32-36H,14,21-26H2,1-4H3/t27-,28-,32+,33+,34+,35+,36+,38-,39-/m0/s1
C40H48O4592.80671100
17246342

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C40H48O4/c1-27-22-23-33-35-36(44-35)38(2)26-28(37(41)42-4)25-34(38)39(33,3)32(27)21-14-24-43-40(29-15-8-5-9-16-29,30-17-10-6-11-18-30)31-19-12-7-13-20-31/h5-13,15-20,27-28,32-36H,14,21-26H2,1-4H3/t27-,28+,32+,33+,34+,35+,36+,38-,39-/m0/s1
C40H48O4592.80671100
25933477
InChI=1/C40H48O4/c1-5-18-41-38-29-35-26-33-15-10-13-31(24-33)22-30-12-9-14-32(23-30)25-34-16-11-17-36(27-34)40(43-20-7-3,44-21-8-4)37(28-35)39(38)42-19-6-2/h9-17,23-24,27-29H,5-8,18-22,25-26H2,1-4H3
C40H48O4592.8067121526
26581176

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C40H48O4/c1-36-20-21-37(2,35(43)44-33(26-12-8-6-9-13-26)27-14-10-7-11-15-27)25-30(36)29-24-32(42)34-38(3)18-17-31(41)28(38)16-19-40(34,5)39(29,4)23-22-36/h6-15,24,28,30,33-34H,16-23,25H2,1-5H3/t28?,30-,34+,36+,37-,38-,39+,40+/m0/s1
C40H48O4592.80671200
12

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