azane; 5-[1-(3-carboxy-4-oxidanyl-phenyl)heptadecyl]-2-oxidanyl-benzoic acid

Systemtic Name: azane; 5-[1-(3-carboxy-4-oxidanyl-phenyl)heptadecyl]-2-oxidanyl-benzoic acid Openeye Name: ammonia; 5-[1-(3-carboxy-4-hydroxy-phenyl)heptadecyl]-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[1-(3-carboxy-4-hydroxyphenyl)heptadecyl]-2-hydroxybenzoic acid IUPAC Name: azane; 5-[1-(3-carboxy-4-hydroxyphenyl)heptadecyl]-2-hydroxybenzoic acid Traditional Name: ammonia; 5-[1-(3-carboxy-4-hydroxy-phenyl)heptadecyl]-2-hydroxy-benzoic acid Formula: C31H47NO6 MolecularWeight: 529.70798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=CC(=C(C=C1)O)C(=O)O)C2=CC(=C(C=C2)O)C(=O)O.N

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=CC(=C(C=C1)O)C(=O)O)C2=CC(=C(C=C2)O)C(=O)O.N

InChI

InChI=1S/C31H44O6.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(23-17-19-28(32)26(21-23)30(34)35)24-18-20-29(33)27(22-24)31(36)37;/h17-22,25,32-33H,2-16H2,1H3,(H,34,35)(H,36,37);1H3