4-[[8-(2-ethoxy-2-oxidanylidene-ethyl)-5,5-dimethyl-6H-naphthalen-2-yl]diazenyl]benzoic acid

Systemtic Name: 4-[[8-(2-ethoxy-2-oxidanylidene-ethyl)-5,5-dimethyl-6H-naphthalen-2-yl]diazenyl]benzoic acid Openeye Name: 4-[[8-(2-ethoxy-2-oxo-ethyl)-5,5-dimethyl-6H-naphthalen-2-yl]azo]benzoic acid CAS Name: 4-[[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]azo]benzoic acid IUPAC Name: 4-[[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]diazenyl]benzoic acid Traditional Name: 4-[[8-(2-ethoxy-2-keto-ethyl)-5,5-dimethyl-6H-naphthalen-2-yl]azo]benzoic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CCC(C2=C1C=C(C=C2)N=NC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CCOC(=O)CC1=CCC(C2=C1C=C(C=C2)N=NC3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C23H24N2O4/c1-4-29-21(26)13-16-11-12-23(2,3)20-10-9-18(14-19(16)20)25-24-17-7-5-15(6-8-17)22(27)28/h5-11,14H,4,12-13H2,1-3H3,(H,27,28)