3-(4-ethylphenyl)-4-(hexanoylamino)naphthalene-1-sulfonic acid

Systemtic Name: 3-(4-ethylphenyl)-4-(hexanoylamino)naphthalene-1-sulfonic acid Openeye Name: 3-(4-ethylphenyl)-4-(hexanoylamino)naphthalene-1-sulfonic acid CAS Name: 3-(4-ethylphenyl)-4-(1-oxohexylamino)-1-naphthalenesulfonic acid IUPAC Name: 3-(4-ethylphenyl)-4-(hexanoylamino)naphthalene-1-sulfonic acid Traditional Name: 4-(caproylamino)-3-(4-ethylphenyl)naphthalene-1-sulfonic acid Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCCCC(=O)NC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)C3=CC=C(C=C3)CC

InChI

InChI=1S/C24H27NO4S/c1-3-5-6-11-23(26)25-24-20-10-8-7-9-19(20)22(30(27,28)29)16-21(24)18-14-12-17(4-2)13-15-18/h7-10,12-16H,3-6,11H2,1-2H3,(H,25,26)(H,27,28,29)