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Chemical ID: 6877904

Cc1cc(cc(c1)OCC(=O)Oc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)C(C)(C)C)C

Chemical ID:

6877904

Name [?]:

[4-oxo-3-(4-tert-butylphenoxy)-chromen-7-yl] 2-(3,5-dimethylphenoxy)acetate

SMILES [?]:

Cc1cc(cc(c1)OCC(=O)Oc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)C(C)(C)C)C

InChi [?]:

InChI=1/C29H28O6/c1-18-12-19(2)14-23(13-18)32-17-27(30)35-22-10-11-24-25(15-22)33-16-26(28(24)31)34-21-8-6-20(7-9-21)29(3,4)5/h6-16H,17H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,35,32,33,34,27,29,26,30,14,15,3,7,5,18,20,9,2,4,28,25,13,6,16,17,21,10,22,31,11,23,8,19,24,12/E:(1,2)(3,4,5)(6,7)(8,9)(13,14)(18,19)/rA:35nCCCCCCCOCCOOCCCCCCOCCCOOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s16s21;d22;s21;s24;s25;d26;s27;d28;d25s29;s28;s31;s31;s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₈O₆
All Atoms:	63
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0586
Area:	739.97
Solvation:	-5.44066
Coulombic:	-52.5624

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	472.529
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	7.09
LogP (Chemaxon):	7.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value