3-[3-phosphanyl-2-(3-sulfophenyl)phenyl]benzenesulfonic acid; sulfane

Systemtic Name: 3-[3-phosphanyl-2-(3-sulfophenyl)phenyl]benzenesulfonic acid; sulfane Openeye Name: hydrogen sulfide; 3-[3-phosphanyl-2-(3-sulfophenyl)phenyl]benzenesulfonic acid CAS Name: 3-[3-phosphino-2-(3-sulfophenyl)phenyl]benzenesulfonic acid; sulfane IUPAC Name: 3-[3-phosphanyl-2-(3-sulfophenyl)phenyl]benzenesulfonic acid; sulfane Traditional Name: hydrogen sulfide; 3-[3-phosphino-2-(3-sulfophenyl)phenyl]besylic acid Formula: C18H17O6PS3 MolecularWeight: 456.492741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)C2=C(C(=CC=C2)P)C3=CC(=CC=C3)S(=O)(=O)O.S

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C2=C(C(=CC=C2)P)C3=CC(=CC=C3)S(=O)(=O)O.S

InChI

InChI=1S/C18H15O6PS2.H2S/c19-26(20,21)14-6-1-4-12(10-14)16-8-3-9-17(25)18(16)13-5-2-7-15(11-13)27(22,23)24;/h1-11H,25H2,(H,19,20,21)(H,22,23,24);1H2