(Z)-6-methyl-7-phenylsulfanyl-1-phosphono-hept-5-ene-1-sulfonic acid

Systemtic Name: (Z)-6-methyl-7-phenylsulfanyl-1-phosphono-hept-5-ene-1-sulfonic acid Openeye Name: (Z)-6-methyl-7-phenylsulfanyl-1-phosphono-hept-5-ene-1-sulfonic acid CAS Name: (Z)-6-methyl-7-(phenylthio)-1-phosphono-5-heptene-1-sulfonic acid IUPAC Name: (Z)-6-methyl-7-phenylsulfanyl-1-phosphonohept-5-ene-1-sulfonic acid Traditional Name: (Z)-6-methyl-7-(phenylthio)-1-phosphono-hept-5-ene-1-sulfonic acid Formula: C14H21O6PS2 MolecularWeight: 380.416701

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCC(P(=O)(O)O)S(=O)(=O)O)CSC1=CC=CC=C1

Isomeric SMILES

C/C(=C/CCCC(P(=O)(O)O)S(=O)(=O)O)/CSC1=CC=CC=C1

InChI

InChI=1S/C14H21O6PS2/c1-12(11-22-13-8-3-2-4-9-13)7-5-6-10-14(21(15,16)17)23(18,19)20/h2-4,7-9,14H,5-6,10-11H2,1H3,(H2,15,16,17)(H,18,19,20)/b12-7-