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Chemical ID: 7607130

c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)S)S

Chemical ID:

7607130

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)S)S

InChi [?]:

InChI=1/C20H12O3S2/c21-19-13-3-1-2-4-14(13)20(23-19)15-7-5-11(24)9-17(15)22-18-10-12(25)6-8-16(18)20/h1-10,24-25H

InChi Info:

AuxInfo=1/0/N:1,2,6,3,13,21,12,20,15,23,14,22,5,4,11,19,16,18,7,10,8,17,9,25,24/E:(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)(24,25)/rA:25cCCCCCCCOOCCCCCCCOCCCCCCSS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s10s18;d19;s20;d21;d18s22;s22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₂O₃S₂
All Atoms:	37
Heavy Atoms:	25
Chiral Atoms:	None

ZAP Information [?]

Total:	9.95753
Area:	528.446
Solvation:	-3.25362
Coulombic:	-34.1723

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	0
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.4
LogP (Chemaxon):	None

Name Annotations

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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