carboxy-[carboxy(naphthalen-1-ylmethyl)amino]-[[2-(ethylsulfanylmethyl)phenyl]methyl]-sulfanidyl-azanium

Systemtic Name: carboxy-[carboxy(naphthalen-1-ylmethyl)amino]-[[2-(ethylsulfanylmethyl)phenyl]methyl]-sulfanidyl-azanium Openeye Name: carboxy-[carboxy(1-naphthylmethyl)amino]-[[2-(ethylsulfanylmethyl)phenyl]methyl]-sulfido-ammonium CAS Name: carboxy-[carboxy(1-naphthalenylmethyl)amino]-[[2-[(ethylthio)methyl]phenyl]methyl]-sulfidoammonium IUPAC Name: carboxy-[carboxy(naphthalen-1-ylmethyl)amino]-[[2-(ethylsulfanylmethyl)phenyl]methyl]-sulfidoazanium Traditional Name: carboxy-[carboxy(1-naphthylmethyl)amino]-[2-[(ethylthio)methyl]benzyl]-sulfido-ammonium Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC=CC=C1C[N+](C(=O)O)(N(CC2=CC=CC3=CC=CC=C32)C(=O)O)[S-]

Isomeric SMILES

CCSCC1=CC=CC=C1C[N+](C(=O)O)(N(CC2=CC=CC3=CC=CC=C32)C(=O)O)[S-]

InChI

InChI=1S/C23H24N2O4S2/c1-2-31-16-20-10-4-3-9-19(20)15-25(30,23(28)29)24(22(26)27)14-18-12-7-11-17-8-5-6-13-21(17)18/h3-13H,2,14-16H2,1H3,(H,26,27)(H,28,29)