3',6'-dihexyl-2-thiophen-2-yl-spiro[3,1-benzoxazine-4,9'-xanthene]

Systemtic Name: 3',6'-dihexyl-2-thiophen-2-yl-spiro[3,1-benzoxazine-4,9'-xanthene] Openeye Name: 3',6'-dihexyl-2-(2-thienyl)spiro[3,1-benzoxazine-4,9'-xanthene] CAS Name: 3',6'-dihexyl-2-thiophen-2-ylspiro[3,1-benzoxazine-4,9'-xanthene] IUPAC Name: 3',6'-dihexyl-2-thiophen-2-ylspiro[3,1-benzoxazine-4,9'-xanthene] Traditional Name: 3',6'-dihexyl-2-(2-thienyl)spiro[3,1-benzoxazine-4,9'-xanthene] Formula: C36H39NO2S MolecularWeight: 549.76536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)CCCCCC)C5=CC=CC=C5N=C(O3)C6=CC=CS6

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)CCCCCC)C5=CC=CC=C5N=C(O3)C6=CC=CS6

InChI

InChI=1S/C36H39NO2S/c1-3-5-7-9-14-26-19-21-29-32(24-26)38-33-25-27(15-10-8-6-4-2)20-22-30(33)36(29)28-16-11-12-17-31(28)37-35(39-36)34-18-13-23-40-34/h11-13,16-25H,3-10,14-15H2,1-2H3