5-[[4-[4-(diethylamino)phenyl]imino-1-oxidanylidene-naphthalen-2-yl]carbonylamino]-2-octyl-benzenesulfonic acid

Systemtic Name: 5-[[4-[4-(diethylamino)phenyl]imino-1-oxidanylidene-naphthalen-2-yl]carbonylamino]-2-octyl-benzenesulfonic acid Openeye Name: 5-[[4-[4-(diethylamino)phenyl]imino-1-oxo-naphthalene-2-carbonyl]amino]-2-octyl-benzenesulfonic acid CAS Name: 5-[[[4-[4-(diethylamino)phenyl]imino-1-oxo-2-naphthalenyl]-oxomethyl]amino]-2-octylbenzenesulfonic acid IUPAC Name: 5-[[4-[4-(diethylamino)phenyl]imino-1-oxonaphthalene-2-carbonyl]amino]-2-octylbenzenesulfonic acid Traditional Name: 5-[[4-[4-(diethylamino)phenyl]imino-1-keto-2-naphthoyl]amino]-2-octyl-besylic acid Formula: C35H41N3O5S MolecularWeight: 615.78214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C4C2=O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C4C2=O)S(=O)(=O)O

InChI

InChI=1S/C35H41N3O5S/c1-4-7-8-9-10-11-14-25-17-18-27(23-33(25)44(41,42)43)37-35(40)31-24-32(29-15-12-13-16-30(29)34(31)39)36-26-19-21-28(22-20-26)38(5-2)6-3/h12-13,15-24H,4-11,14H2,1-3H3,(H,37,40)(H,41,42,43)