[3-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] naphthalene-2-sulfonate

Systemtic Name: [3-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] naphthalene-2-sulfonate Openeye Name: [3-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [3-[[ethoxy-(propylthio)phosphoryl]thio]phenyl] ester IUPAC Name: [3-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [3-[[ethoxy-(propylthio)phosphoryl]thio]phenyl] ester Formula: C21H23O5PS3 MolecularWeight: 482.573081

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OCC)SC1=CC=CC(=C1)OS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCSP(=O)(OCC)SC1=CC=CC(=C1)OS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H23O5PS3/c1-3-14-28-27(22,25-4-2)29-20-11-7-10-19(16-20)26-30(23,24)21-13-12-17-8-5-6-9-18(17)15-21/h5-13,15-16H,3-4,14H2,1-2H3