2-[(E)-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-methyl-4-oxidanyl-phenyl)methyl]benzenesulfonate; tetraoctylazanium

Systemtic Name: 2-[(E)-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-methyl-4-oxidanyl-phenyl)methyl]benzenesulfonate; tetraoctylazanium Openeye Name: 2-[(E)-(4-hydroxy-3-methyl-phenyl)-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate; tetraoctylammonium CAS Name: 2-[(E)-(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonate; tetraoctylammonium IUPAC Name: 2-[(E)-(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate; tetraoctylazanium Traditional Name: 2-[(E)-(4-hydroxy-3-methyl-phenyl)-(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]besylate; tetraoctylammonium Formula: C53H85NO5S MolecularWeight: 848.3107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.CC1=CC(=C(C2=CC(=C(C=C2)O)C)C3=CC=CC=C3S(=O)(=O)[O-])C=CC1=O

Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.CC1=C/C(=C(\C2=CC(=C(C=C2)O)C)/C3=CC=CC=C3S(=O)(=O)[O-])/C=CC1=O

InChI

InChI=1S/C32H68N.C21H18O5S/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26/h5-32H2,1-4H3;3-12,22H,1-2H3,(H,24,25,26)/q+1;/p-1/b;21-16+