2-[[10-hexyl-3,7-dimethoxy-6-(2-methoxyethoxymethoxymethyl)phenothiazin-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[10-hexyl-3,7-dimethoxy-6-(2-methoxyethoxymethoxymethyl)phenothiazin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[10-hexyl-3,7-dimethoxy-6-(2-methoxyethoxymethoxymethyl)phenothiazin-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[10-hexyl-3,7-dimethoxy-6-(2-methoxyethoxymethoxymethyl)-4-phenothiazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[10-hexyl-3,7-dimethoxy-6-(2-methoxyethoxymethoxymethyl)phenothiazin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[10-hexyl-3,7-dimethoxy-6-(2-methoxyethoxymethoxymethyl)phenothiazin-4-yl]methyl]isoindoline-1,3-quinone Formula: C34H40N2O7S MolecularWeight: 620.7556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=C(C=C2)OC)CN3C(=O)C4=CC=CC=C4C3=O)SC5=C1C=CC(=C5COCOCCOC)OC

Isomeric SMILES

CCCCCCN1C2=C(C(=C(C=C2)OC)CN3C(=O)C4=CC=CC=C4C3=O)SC5=C1C=CC(=C5COCOCCOC)OC

InChI

InChI=1S/C34H40N2O7S/c1-5-6-7-10-17-35-27-13-15-29(40-3)25(20-36-33(37)23-11-8-9-12-24(23)34(36)38)31(27)44-32-26(21-43-22-42-19-18-39-2)30(41-4)16-14-28(32)35/h8-9,11-16H,5-7,10,17-22H2,1-4H3