[4-phenylsulfanyl-2,5-bis(2-sulfoethoxy)phenyl]iminoazanium

Systemtic Name: [4-phenylsulfanyl-2,5-bis(2-sulfoethoxy)phenyl]iminoazanium Openeye Name: [4-phenylsulfanyl-2,5-bis(2-sulfoethoxy)phenyl]iminoammonium CAS Name: [4-(phenylthio)-2,5-bis(2-sulfoethoxy)phenyl]iminoammonium IUPAC Name: [4-phenylsulfanyl-2,5-bis(2-sulfoethoxy)phenyl]iminoazanium Traditional Name: [4-(phenylthio)-2,5-bis(2-sulfoethoxy)phenyl]iminoammonium Formula: C16H19N2O8S3+ MolecularWeight: 463.52566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C(=C2)OCCS(=O)(=O)O)N=[NH2+])OCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C(=C2)OCCS(=O)(=O)O)N=[NH2+])OCCS(=O)(=O)O

InChI

InChI=1S/C16H18N2O8S3/c17-18-13-10-15(26-7-9-29(22,23)24)16(27-12-4-2-1-3-5-12)11-14(13)25-6-8-28(19,20)21/h1-5,10-11,17H,6-9H2,(H,19,20,21)(H,22,23,24)/p+1