[7-(2-decoxycarbonylphenyl)-3-oxidanyl-benzo[c]xanthen-10-ylidene]-diethyl-azanium perchlorate

Systemtic Name: [7-(2-decoxycarbonylphenyl)-3-oxidanyl-benzo[c]xanthen-10-ylidene]-diethyl-azanium perchlorate Openeye Name: [7-(2-decoxycarbonylphenyl)-3-hydroxy-benzo[c]xanthen-10-ylidene]-diethyl-ammonium perchlorate CAS Name: [7-[2-[decoxy(oxo)methyl]phenyl]-3-hydroxy-10-benzo[c]xanthenylidene]-diethylammonium perchlorate IUPAC Name: [7-(2-decoxycarbonylphenyl)-3-hydroxybenzo[c]xanthen-10-ylidene]-diethylazanium perchlorate Traditional Name: [7-(2-decoxycarbonylphenyl)-3-hydroxy-benzo[c]xanthen-10-ylidene]-diethyl-ammonium perchlorate Formula: C38H44ClNO8 MolecularWeight: 678.21086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](CC)CC)C=C3OC4=C2C=CC5=C4C=CC(=C5)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](CC)CC)C=C3OC4=C2C=CC5=C4C=CC(=C5)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C38H43NO4.ClHO4/c1-4-7-8-9-10-11-12-15-24-42-38(41)32-17-14-13-16-31(32)36-33-22-19-28(39(5-2)6-3)26-35(33)43-37-30-23-20-29(40)25-27(30)18-21-34(36)37;2-1(3,4)5/h13-14,16-23,25-26H,4-12,15,24H2,1-3H3;(H,2,3,4,5)