2-(4-ethyl-2-oxidanyl-phenyl)carbonylbenzoic acid; hexan-1-amine

Systemtic Name: 2-(4-ethyl-2-oxidanyl-phenyl)carbonylbenzoic acid; hexan-1-amine Openeye Name: 2-(4-ethyl-2-hydroxy-benzoyl)benzoic acid; hexan-1-amine CAS Name: 2-[(4-ethyl-2-hydroxyphenyl)-oxomethyl]benzoic acid; 1-hexanamine IUPAC Name: 2-(4-ethyl-2-hydroxybenzoyl)benzoic acid; hexan-1-amine Traditional Name: 2-(4-ethyl-2-hydroxy-benzoyl)benzoic acid; hexylamine Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN.CCC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O

Isomeric SMILES

CCCCCCN.CCC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C16H14O4.C6H15N/c1-2-10-7-8-13(14(17)9-10)15(18)11-5-3-4-6-12(11)16(19)20;1-2-3-4-5-6-7/h3-9,17H,2H2,1H3,(H,19,20);2-7H2,1H3