2-[4-(2-azanylethylamino)phenyl]sulfanylterephthalic acid

Systemtic Name: 2-[4-(2-azanylethylamino)phenyl]sulfanylterephthalic acid Openeye Name: 2-[4-(2-aminoethylamino)phenyl]sulfanylterephthalic acid CAS Name: 2-[[4-(2-aminoethylamino)phenyl]thio]terephthalic acid IUPAC Name: 2-[4-(2-aminoethylamino)phenyl]sulfanylterephthalic acid Traditional Name: 2-[[4-(2-aminoethylamino)phenyl]thio]terephthalic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCN)SC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1NCCN)SC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H16N2O4S/c17-7-8-18-11-2-4-12(5-3-11)23-14-9-10(15(19)20)1-6-13(14)16(21)22/h1-6,9,18H,7-8,17H2,(H,19,20)(H,21,22)