(Z)-2-methylhept-2-enoate; 1-phenylprop-2-ene-1-sulfonic acid

Systemtic Name: (Z)-2-methylhept-2-enoate; 1-phenylprop-2-ene-1-sulfonic acid Openeye Name: (Z)-2-methylhept-2-enoate; 1-phenylprop-2-ene-1-sulfonic acid CAS Name: (Z)-2-methyl-2-heptenoate; 1-phenyl-2-propene-1-sulfonic acid IUPAC Name: (Z)-2-methylhept-2-enoate; 1-phenylprop-2-ene-1-sulfonic acid Traditional Name: (Z)-2-methylhept-2-enoate; 1-phenylprop-2-ene-1-sulfonic acid Formula: C17H23O5S- MolecularWeight: 339.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=C(C)C(=O)[O-].C=CC(C1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCCC/C=C(/C)\C(=O)[O-].C=CC(C1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C9H10O3S.C8H14O2/c1-2-9(13(10,11)12)8-6-4-3-5-7-8;1-3-4-5-6-7(2)8(9)10/h2-7,9H,1H2,(H,10,11,12);6H,3-5H2,1-2H3,(H,9,10)/p-1/b;7-6-