2-sulfanyl-6-[4-(tetradecanoylamino)phenyl]sulfanyl-benzoic acid

Systemtic Name: 2-sulfanyl-6-[4-(tetradecanoylamino)phenyl]sulfanyl-benzoic acid Openeye Name: 2-sulfanyl-6-[4-(tetradecanoylamino)phenyl]sulfanyl-benzoic acid CAS Name: 2-mercapto-6-[[4-(1-oxotetradecylamino)phenyl]thio]benzoic acid IUPAC Name: 2-sulfanyl-6-[4-(tetradecanoylamino)phenyl]sulfanylbenzoic acid Traditional Name: 2-mercapto-6-[[4-(tetradecanoylamino)phenyl]thio]benzoic acid Formula: C27H37NO3S2 MolecularWeight: 487.71758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)SC2=CC=CC(=C2C(=O)O)S

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)SC2=CC=CC(=C2C(=O)O)S

InChI

InChI=1S/C27H37NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-16-25(29)28-21-17-19-22(20-18-21)33-24-15-13-14-23(32)26(24)27(30)31/h13-15,17-20,32H,2-12,16H2,1H3,(H,28,29)(H,30,31)