sodium 3,6-bis(propylsulfanyl)naphthalene-2-sulfonate

Systemtic Name: sodium 3,6-bis(propylsulfanyl)naphthalene-2-sulfonate Openeye Name: sodium 3,6-bis(propylsulfanyl)naphthalene-2-sulfonate CAS Name: sodium 3,6-bis(propylthio)-2-naphthalenesulfonate IUPAC Name: sodium 3,6-bis(propylsulfanyl)naphthalene-2-sulfonate Traditional Name: sodium 3,6-bis(propylthio)naphthalene-2-sulfonate Formula: C16H19NaO3S3 MolecularWeight: 378.50503

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC2=CC(=C(C=C2C=C1)S(=O)(=O)[O-])SCCC.[Na+]

Isomeric SMILES

CCCSC1=CC2=CC(=C(C=C2C=C1)S(=O)(=O)[O-])SCCC.[Na+]

InChI

InChI=1S/C16H20O3S3.Na/c1-3-7-20-14-6-5-12-11-16(22(17,18)19)15(21-8-4-2)10-13(12)9-14;/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,17,18,19);/q;+1/p-1