3-[6-phosphanyl-3,7,7-tris(3-sulfocyclopentyl)nonan-3-yl]cyclopentane-1-sulfonic acid

Systemtic Name: 3-[6-phosphanyl-3,7,7-tris(3-sulfocyclopentyl)nonan-3-yl]cyclopentane-1-sulfonic acid Openeye Name: 3-[1-ethyl-4-phosphanyl-1,5,5-tris(3-sulfocyclopentyl)heptyl]cyclopentanesulfonic acid CAS Name: 3-[6-phosphino-3,7,7-tris(3-sulfocyclopentyl)nonan-3-yl]-1-cyclopentanesulfonic acid IUPAC Name: 3-[6-phosphanyl-3,7,7-tris(3-sulfocyclopentyl)nonan-3-yl]cyclopentane-1-sulfonic acid Traditional Name: 3-[1-ethyl-4-phosphino-1,5,5-tris(3-sulfocyclopentyl)heptyl]cyclopentanesulfonic acid Formula: C29H53O12PS4 MolecularWeight: 752.957681

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C(CC)(C1CCC(C1)S(=O)(=O)O)C2CCC(C2)S(=O)(=O)O)P)(C3CCC(C3)S(=O)(=O)O)C4CCC(C4)S(=O)(=O)O

Isomeric SMILES

CCC(CCC(C(CC)(C1CCC(C1)S(=O)(=O)O)C2CCC(C2)S(=O)(=O)O)P)(C3CCC(C3)S(=O)(=O)O)C4CCC(C4)S(=O)(=O)O

InChI

InChI=1S/C29H53O12PS4/c1-3-28(19-5-9-23(15-19)43(30,31)32,20-6-10-24(16-20)44(33,34)35)14-13-27(42)29(4-2,21-7-11-25(17-21)45(36,37)38)22-8-12-26(18-22)46(39,40)41/h19-27H,3-18,42H2,1-2H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)