2-methyl-1-phenyl-7-phosphono-heptane-3-sulfonic acid

Systemtic Name: 2-methyl-1-phenyl-7-phosphono-heptane-3-sulfonic acid Openeye Name: 2-methyl-1-phenyl-7-phosphono-heptane-3-sulfonic acid CAS Name: 2-methyl-1-phenyl-7-phosphono-3-heptanesulfonic acid IUPAC Name: 2-methyl-1-phenyl-7-phosphonoheptane-3-sulfonic acid Traditional Name: 2-methyl-1-phenyl-7-phosphono-heptane-3-sulfonic acid Formula: C14H23O6PS MolecularWeight: 350.367581

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(CCCCP(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)C(CCCCP(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C14H23O6PS/c1-12(11-13-7-3-2-4-8-13)14(22(18,19)20)9-5-6-10-21(15,16)17/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H2,15,16,17)(H,18,19,20)