2,8-bis[(2-butyloctyl)oxy]-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1,3(7),5,8,11-pentaene

2,8-bis[(2-butyloctyl)oxy]-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1,3(7),5,8,11-pentaene

CAS: 1321590-78-6

Formula: C34H54O2S2

SMILES: CCCCCCC(CCCC)COC1=C2C=CSC2=C(OCC(CCCC)CCCCCC)C2=C1SC=C2

IUPAC: 2,8-bis[(2-butyloctyl)oxy]-4,10-dithiatricyclo[7.3.0.0³,?]dodeca-1,3(7),5,8,11-pentaene

InChI: InChI=1/C34H54O2S2/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/h21-24,27-28H,5-20,25-26H2,1-4H3

Composition: C (73.06%), H (9.74%), O (5.72%), S (11.47%)

Molar Mass: 558.92

Atom Count: 92

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	558.356523327
Formal Charge	0
FSP3	0.71
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KXMWEJMSZOOOGR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	166.77
Topological Polar Surface Area	18.46
Polarizability	68.32
Ring Count	3
Rotatable Bond Count	22

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