5-[[4-(2-nitrophenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]carbonyl-octadecyl-amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-(2-nitrophenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]carbonyl-octadecyl-amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[1-hydroxy-4-(2-nitrophenyl)sulfanyl-naphthalene-2-carbonyl]-octadecyl-amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[1-hydroxy-4-[(2-nitrophenyl)thio]-2-naphthalenyl]-oxomethyl]-octadecylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[1-hydroxy-4-(2-nitrophenyl)sulfanylnaphthalene-2-carbonyl]-octadecylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[1-hydroxy-4-[(2-nitrophenyl)thio]-2-naphthoyl]-stearyl-amino]isophthalic acid Formula: C43H52N2O8S MolecularWeight: 756.94658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=CC=CC=C4[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=CC=CC=C4[N+](=O)[O-])O

InChI

InChI=1S/C43H52N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-44(33-28-31(42(48)49)27-32(29-33)43(50)51)41(47)36-30-39(34-22-17-18-23-35(34)40(36)46)54-38-25-20-19-24-37(38)45(52)53/h17-20,22-25,27-30,46H,2-16,21,26H2,1H3,(H,48,49)(H,50,51)