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

Systemtic Name: 2-[4-(ethylamino)phenyl]sulfanylterephthalic acid Openeye Name: 2-[4-(ethylamino)phenyl]sulfanylterephthalic acid CAS Name: 2-[[4-(ethylamino)phenyl]thio]terephthalic acid IUPAC Name: 2-[4-(ethylamino)phenyl]sulfanylterephthalic acid Traditional Name: 2-[[4-(ethylamino)phenyl]thio]terephthalic acid Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(C=C1)SC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCNC1=CC=C(C=C1)SC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H15NO4S/c1-2-17-11-4-6-12(7-5-11)22-14-9-10(15(18)19)3-8-13(14)16(20)21/h3-9,17H,2H2,1H3,(H,18,19)(H,20,21)