(2,3-dihexylphenoxy)-[2-(6-sulfanylidenehexyl)phenyl]phosphinic acid

Systemtic Name: (2,3-dihexylphenoxy)-[2-(6-sulfanylidenehexyl)phenyl]phosphinic acid Openeye Name: (2,3-dihexylphenoxy)-[2-(6-thioxohexyl)phenyl]phosphinic acid CAS Name: (2,3-dihexylphenoxy)-[2-(6-sulfanylidenehexyl)phenyl]phosphinic acid IUPAC Name: (2,3-dihexylphenoxy)-[2-(6-sulfanylidenehexyl)phenyl]phosphinic acid Traditional Name: (2,3-dihexylphenoxy)-[2-(6-thioxohexyl)phenyl]phosphinic acid Formula: C30H45O3PS MolecularWeight: 516.715261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=CC=C1)OP(=O)(C2=CC=CC=C2CCCCCC=S)O)CCCCCC

Isomeric SMILES

CCCCCCC1=C(C(=CC=C1)OP(=O)(C2=CC=CC=C2CCCCCC=S)O)CCCCCC

InChI

InChI=1S/C30H45O3PS/c1-3-5-7-11-18-26-21-17-23-29(28(26)22-13-8-6-4-2)33-34(31,32)30-24-15-14-20-27(30)19-12-9-10-16-25-35/h14-15,17,20-21,23-25H,3-13,16,18-19,22H2,1-2H3,(H,31,32)