2',3',4,5-tetraethyl 5',5',8'-trimethyl-6'-(2,2,2-trifluoroacetyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

2',3',4,5-tetraethyl 5',5',8'-trimethyl-6'-(2,2,2-trifluoroacetyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Formula: C31H32F3NO9S3

SMILES: CCOC(=O)C1=C(SC2(S1)C(C(=O)OCC)=C(SC1=C2C2=CC=C(C)C=C2N(C(=O)C(F)(F)F)C1(C)C)C(=O)OCC)C(=O)OCC

IUPAC: 2',3',4,5-tetraethyl 5',5',8'-trimethyl-6'-(2,2,2-trifluoroacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

InChI: InChI=1S/C31H32F3NO9S3/c1-8-41-24(36)19-20(25(37)42-9-2)45-23-18(30(19)46-21(26(38)43-10-3)22(47-30)27(39)44-11-4)16-13-12-15(5)14-17(16)35(29(23,6)7)28(40)31(32,33)34/h12-14H,8-11H2,1-7H3

Composition: C (52.02%), H (4.51%), F (7.96%), N (1.96%), O (20.12%), S (13.44%)

Molar Mass: 715.77

Atom Count: 79

Heavy Atom Count: 47

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	715.119129625
Formal Charge	0
FSP3	0.45
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	NFADPJCFIYZXAF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	176.16
Topological Polar Surface Area	125.51
Polarizability	66.36
Ring Count	4
Rotatable Bond Count	13

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C31H32F3NO9S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00