[6-(diethylamino)-9-(2-dodecoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [6-(diethylamino)-9-(2-dodecoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-(2-dodecoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-[2-[dodecoxy(oxo)methyl]phenyl]-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-(2-dodecoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium Traditional Name: [6-(diethylamino)-9-(2-lauryloxycarbonylphenyl)xanthen-3-ylidene]-diethyl-ammonium Formula: C40H55N2O3+ MolecularWeight: 611.8763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](CC)CC)C=C3OC4=C2C=CC(=C4)N(CC)CC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](CC)CC)C=C3OC4=C2C=CC(=C4)N(CC)CC

InChI

InChI=1S/C40H55N2O3/c1-6-11-12-13-14-15-16-17-18-21-28-44-40(43)34-23-20-19-22-33(34)39-35-26-24-31(41(7-2)8-3)29-37(35)45-38-30-32(25-27-36(38)39)42(9-4)10-5/h19-20,22-27,29-30H,6-18,21,28H2,1-5H3/q+1