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N-hexylmethanamide; 2-iodanyl-5-phenylazanyl-terephthalic acid

N-hexylmethanamide; 2-iodanyl-5-phenylazanyl-terephthalic acid

Systemtic Name:N-hexylmethanamide; 2-iodanyl-5-phenylazanyl-terephthalic acid
Openeye Name:2-anilino-5-iodo-terephthalic acid; N-hexylformamide
CAS Name:2-anilino-5-iodoterephthalic acid; N-hexylformamide
IUPAC Name:2-anilino-5-iodoterephthalic acid; N-hexylformamide
Traditional Name:2-anilino-5-iodo-terephthalic acid; N-hexylformamide
Formula: C21H25IN2O5
MolecularWeight: 512.33807
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC=O.C1=CC=C(C=C1)NC2=C(C=C(C(=C2)C(=O)O)I)C(=O)O


Isomeric SMILES

CCCCCCNC=O.C1=CC=C(C=C1)NC2=C(C=C(C(=C2)C(=O)O)I)C(=O)O


InChI

InChI=1S/C14H10INO4.C7H15NO/c15-11-6-10(14(19)20)12(7-9(11)13(17)18)16-8-4-2-1-3-5-8;1-2-3-4-5-6-8-7-9/h1-7,16H,(H,17,18)(H,19,20);7H,2-6H2,1H3,(H,8,9)


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