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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 60 results

Search term: C30H40O3 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5254028

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C10H16O.2C10H12O/c1-9(2)7-4-5-10(3,6-7)8(9)11;2*1-3-4-9-5-7-10(11-2)8-6-9/h7H,4-6H2,1-3H3;3-8H,1-2H3;3,5-8H,1,4H2,2H3/b;4-3+;
C30H40O3448.636811900
8846526

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H40O3/c1-20(31)24-11-12-25-23-10-9-22-19-30(32,16-13-21-7-5-6-8-27(21)33-4)18-17-28(22,2)26(23)14-15-29(24,25)3/h5-8,22-26,32H,9-12,14-15,17-19H2,1-4H3/t22-,23+,24-,25+,26+,28+,29-,30-/m1/s1
C30H40O3448.63684300
8679058

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C30H40O3/c1-20(31)25-11-12-26-24-10-7-22-19-30(32,16-13-21-5-8-23(33-4)9-6-21)18-17-28(22,2)27(24)14-15-29(25,26)3/h5-6,8-9,22,24-27,32H,7,10-12,14-15,17-19H2,1-4H3/t22-,24+,25-,26+,27+,28+,29-,30-/m1/s1
C30H40O3448.63684300
28676461

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H40O3/c1-4-6-7-8-9-10-11-12-23-32-29-21-17-27(18-22-29)14-13-26-15-19-28(20-16-26)30(31)33-24-25(3)5-2/h15-22,25H,4-12,23-24H2,1-3H3
C30H40O3448.63684400
30771232

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C30H40O3/c1-18(2)9-8-10-21(5)26-27(31)25-16-20(4)15-24(30(25,7)29(33)28(26)32)17-22(6)23-13-11-19(3)12-14-23/h9,11-15,21-22,24-25,32H,8,10,16-17H2,1-7H3/t21-,22-,24+,25-,30-/m1/s1
C30H40O3448.63683300
9468815

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C30H40O3/c1-5-6-7-14-21-30(32,25-17-12-9-13-18-25)28(31)33-27-22-23(2)19-20-26(27)29(3,4)24-15-10-8-11-16-24/h8-18,21,23,26-27,32H,5-7,19-20,22H2,1-4H3/b21-14+/t23-,26-,27-,30-/m1/s1
C30H40O3448.63683300
17214304

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C30H40O3/c1-7-22(16-17-23-14-12-11-13-15-23)19-29(9-3)18-20(5)25-21(6)27(31)24(8-2)26(25)30(29,10-4)28(32)33/h11-19,21,24-26H,7-10H2,1-6H3,(H,32,33)/b17-16+,22-19+/t21-,24-,25-,26-,29+,30-/m0/s1
C30H40O3448.63683300
24607903

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C30H40O3/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-28(33)30(7)21-27(32)20-29(30,5)6/h8-19,22,27,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t27-,30-/m0/s1
C30H40O3448.63683300
490376

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-29(32-25-27-20-15-13-16-21-27)30(31)33-26-28-22-17-14-18-23-28/h13-18,20-23,29H,2-11,24-26H2,1H3
C30H40O3448.63683400
496180

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C30H40O3/c1-19(9-14-27(32)20-7-5-4-6-8-20)24-12-13-25-23-11-10-21-17-22(31)15-16-29(21,2)26(23)18-28(33)30(24,25)3/h4-8,19,21,23-26H,9-18H2,1-3H3
C30H40O3448.63683400
550546

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C30H40O3/c1-19(2)24-14-16-28(4)25-13-12-22-18-23(21-10-8-7-9-11-21)27(32-20(3)31)30(22,6)29(25,5)17-15-26(28)33-24/h7-11,18-19,24-26H,12-17H2,1-6H3
C30H40O3448.63683400
551202

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3
C30H40O3448.63683700
8043998

Double-bond stereo
InChI=1/C30H40O3/c1-9-10-17-33-28-25(19-23(29(3,4)5)20-26(28)30(6,7)8)24-14-12-11-13-22(24)16-15-21(2)18-27(31)32/h11-16,18-20H,9-10,17H2,1-8H3,(H,31,32)/b16-15+,21-18+
C30H40O3448.63682100
8109015

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C30H40O3/c1-20(31)22-7-5-21(6-8-22)13-16-30(32)18-17-28(2)23(19-30)9-10-24-25-11-12-27(33-4)29(25,3)15-14-26(24)28/h5-8,23-27,32H,9-12,14-15,17-19H2,1-4H3/t23?,24?,25?,26?,27-,28-,29-,30+/m0/s1
C30H40O3448.63682100
8314203

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C30H40O3/c1-28(2,3)21-9-6-19(7-10-21)18-30(32)15-13-25-23-11-8-20-16-26(31)27(33-5)17-24(20)22(23)12-14-29(25,30)4/h6-7,9-10,16-17,22-23,25,31-32H,8,11-15,18H2,1-5H3/t22?,23?,25?,29-,30+/m0/s1
C30H40O3448.63682100
8473026

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H40O3/c1-29(2)16-17-30(3,4)27-19-23(12-15-26(27)29)24(18-21-8-6-5-7-9-21)20-33-25-13-10-22(11-14-25)28(31)32/h10-15,19,21,24H,5-9,16-18,20H2,1-4H3,(H,31,32)
C30H40O3448.63682100
8798733
InChI=1/C30H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-33-24-20-21-27-28(23-24)30(32)26-19-16-15-18-25(26)29(27)31/h15-16,18-21,23H,2-14,17,22H2,1H3
C30H40O3448.63682100
9212875

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C30H40O3/c1-24(13-8-9-14-25(2)18-12-20-28(5)23-31)15-10-16-26(3)17-11-19-27(4)21-22-29(32)30(6,7)33/h8-23,29,32-33H,1-7H3/b9-8+,15-10+,17-11+,18-12+,22-21+,24-13+,25-14+,26-16+,27-19+,28-20+/t29-/m1/s1
C30H40O3448.63682100
9245524

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C30H40O3/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-28-29(5,6)20-27(32)21-30(28,7)33/h8-18,22,27,32-33H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,23-12+,24-13+,25-16+,26-17+/t19?,27-,30+/m0/s1
C30H40O3448.63682100
9319922

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C30H40O3/c1-3-5-8-19-27(28(31)4-2)26-20-13-18-23(26)21-22-33-30(25-16-11-7-12-17-25)29(32)24-14-9-6-10-15-24/h6-7,9-12,14-17,21-23,28-32H,3-5,8,13,18-20H2,1-2H3/b22-21+,27-26-/t23-,28?,29-,30-/m1/s1
C30H40O3448.63682100
123

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