[2-[4-(diethylamino)phenyl]-3-oxidanyl-4-oxidanylidene-chromen-6-yl]methyl-dodecyl-methyl-(3-sulfopropyl)azanium

Systemtic Name: [2-[4-(diethylamino)phenyl]-3-oxidanyl-4-oxidanylidene-chromen-6-yl]methyl-dodecyl-methyl-(3-sulfopropyl)azanium Openeye Name: [2-[4-(diethylamino)phenyl]-3-hydroxy-4-oxo-chromen-6-yl]methyl-dodecyl-methyl-(3-sulfopropyl)ammonium CAS Name: [2-[4-(diethylamino)phenyl]-3-hydroxy-4-oxo-1-benzopyran-6-yl]methyl-dodecyl-methyl-(3-sulfopropyl)ammonium IUPAC Name: [2-[4-(diethylamino)phenyl]-3-hydroxy-4-oxochromen-6-yl]methyl-dodecyl-methyl-(3-sulfopropyl)azanium Traditional Name: [2-[4-(diethylamino)phenyl]-3-hydroxy-4-keto-chromen-6-yl]methyl-lauryl-methyl-(3-sulfopropyl)ammonium Formula: C36H55N2O6S+ MolecularWeight: 643.8967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(CCCS(=O)(=O)O)CC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)N(CC)CC

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(CCCS(=O)(=O)O)CC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)N(CC)CC

InChI

InChI=1S/C36H54N2O6S/c1-5-8-9-10-11-12-13-14-15-16-24-38(4,25-17-26-45(41,42)43)28-29-18-23-33-32(27-29)34(39)35(40)36(44-33)30-19-21-31(22-20-30)37(6-2)7-3/h18-23,27H,5-17,24-26,28H2,1-4H3,(H-,40,41,42,43)/p+1