1-octadecyl-2-(1-oxidanylidenenaphthalen-2-ylidene)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 1-octadecyl-2-(1-oxidanylidenenaphthalen-2-ylidene)-3H-benzimidazole-5-sulfonic acid Openeye Name: 1-octadecyl-2-(1-oxo-2-naphthylidene)-3H-benzimidazole-5-sulfonic acid CAS Name: 1-octadecyl-2-(1-oxo-2-naphthalenylidene)-3H-benzimidazole-5-sulfonic acid IUPAC Name: 1-octadecyl-2-(1-oxonaphthalen-2-ylidene)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-(1-keto-2-naphthylidene)-1-stearyl-3H-benzimidazole-5-sulfonic acid Formula: C35H48N2O4S MolecularWeight: 592.83162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)O)NC1=C3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)O)NC1=C3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C35H48N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-33-25-23-29(42(39,40)41)27-32(33)36-35(37)31-24-22-28-20-17-18-21-30(28)34(31)38/h17-18,20-25,27,36H,2-16,19,26H2,1H3,(H,39,40,41)