3-[butyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid

Systemtic Name: 3-[butyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid Openeye Name: 3-[butyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid CAS Name: 3-[butyl-(3-sulfophenyl)phosphino]benzenesulfonic acid IUPAC Name: 3-[butyl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid Traditional Name: 3-[butyl-(3-sulfophenyl)phosphino]besylic acid Formula: C16H19O6PS2 MolecularWeight: 402.422221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCP(C1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCP(C1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C16H19O6PS2/c1-2-3-10-23(13-6-4-8-15(11-13)24(17,18)19)14-7-5-9-16(12-14)25(20,21)22/h4-9,11-12H,2-3,10H2,1H3,(H,17,18,19)(H,20,21,22)