Chemical ID: 6441159

COc1c(cc2ccccc2c1c3c4ccccc4cc(c3OC)C(=O)OC)C(=O)OC
Chemical ID:
6441159
Name [?]:
methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonyl-1-naphthyl)-naphthalene-2-carboxylate
SMILES [?]:
COc1c(cc2ccccc2c1c3c4ccccc4cc(c3OC)C(=O)OC)C(=O)OC
InChi [?]:
InChI=1/C26H22O6/c1-29-23-19(25(27)31-3)13-15-9-5-7-11-17(15)21(23)22-18-12-8-6-10-16(18)14-20(24(22)30-2)26(28)32-4/h5-14H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,32,28,8,17,9,16,7,18,10,15,5,20,6,19,11,14,4,21,12,13,3,22,29,25,30,26,2,23,31,27/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/rA:32nCOCCCCCCCCCCCCCCCCCCCCOCCOOCCOOC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;d13s21;s22;s23;s21;d25;s25;s27;s4;d29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H22O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.0471
Area:608.812
Solvation:-5.17316
Coulombic:-56.1443
Bond Count [?]
All:35
Single:23
Double:12
Rotors:7
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:430.449
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:6.2
LogP (Chemaxon):4.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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