4-octadecoxy-3-[[1-oxidanyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]naphthalen-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-octadecoxy-3-[[1-oxidanyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]naphthalen-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanyl-naphthalene-2-carbonyl]amino]-4-octadecoxy-benzoic acid CAS Name: 3-[[[1-hydroxy-4-[(1-phenyl-5-tetrazolyl)thio]-2-naphthalenyl]-oxomethyl]amino]-4-octadecoxybenzoic acid IUPAC Name: 3-[[1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carbonyl]amino]-4-octadecoxybenzoic acid Traditional Name: 3-[[1-hydroxy-4-[(1-phenyltetrazol-5-yl)thio]-2-naphthoyl]amino]-4-stearyloxy-benzoic acid Formula: C43H53N5O5S MolecularWeight: 751.97642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=CC=C5)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=CC=C5)O

InChI

InChI=1S/C43H53N5O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-53-38-28-27-32(42(51)52)30-37(38)44-41(50)36-31-39(34-25-20-21-26-35(34)40(36)49)54-43-45-46-47-48(43)33-23-18-17-19-24-33/h17-21,23-28,30-31,49H,2-16,22,29H2,1H3,(H,44,50)(H,51,52)