{2,8-bis[(2-butyloctyl)oxy]-11-(trimethylstannyl)-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1(9),2,5,7,11-pentaen-5-yl}trimethylstannane

{2,8-bis[(2-butyloctyl)oxy]-11-(trimethylstannyl)-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1(9),2,5,7,11-pentaen-5-yl}trimethylstannane

CAS: 1271439-08-7

Formula: C40H70O2S2Sn2

SMILES: CCCCCCC(CCCC)COC1=C2C=C(SC2=C(OCC(CCCC)CCCCCC)C2=C1SC(=C2)[Sn](C)(C)C)[Sn](C)(C)C

IUPAC: {2,8-bis[(2-butyloctyl)oxy]-11-(trimethylstannyl)-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1(9),2,5,7,11-pentaen-5-yl}trimethylstannane

InChI: InChI=1/C34H52O2S2.6CH3.2Sn/c1-5-9-13-15-19-27(17-11-7-3)25-35-31-29-21-23-38-34(29)32(30-22-24-37-33(30)31)36-26-28(18-12-8-4)20-16-14-10-6-2;;;;;;;;/h21-22,27-28H,5-20,25-26H2,1-4H3;6*1H3;;

Composition: C (54.32%), H (7.98%), O (3.62%), S (7.25%), Sn (26.84%)

Molar Mass: 884.54

Atom Count: 116

Heavy Atom Count: 46

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	886.286128
Formal Charge	0
FSP3	0.75
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SWDLPBRTONKXQI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	197.22
Topological Polar Surface Area	18.46
Polarizability	89.87
Ring Count	3
Rotatable Bond Count	24

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