7-phenyl-2-[(E)-2-phenylethenyl]sulfonyl-heptanoic acid; 7-phenyl-2-(3-phenylpropylsulfonyl)heptanoic acid

Systemtic Name: 7-phenyl-2-[(E)-2-phenylethenyl]sulfonyl-heptanoic acid; 7-phenyl-2-(3-phenylpropylsulfonyl)heptanoic acid Openeye Name: 7-phenyl-2-(3-phenylpropylsulfonyl)heptanoic acid; 7-phenyl-2-[(E)-styryl]sulfonyl-heptanoic acid CAS Name: 7-phenyl-2-[(E)-2-phenylethenyl]sulfonylheptanoic acid; 7-phenyl-2-(3-phenylpropylsulfonyl)heptanoic acid IUPAC Name: 7-phenyl-2-[(E)-2-phenylethenyl]sulfonylheptanoic acid; 7-phenyl-2-(3-phenylpropylsulfonyl)heptanoic acid Traditional Name: 7-phenyl-2-(3-phenylpropylsulfonyl)enanthic acid; 7-phenyl-2-[(E)-styryl]sulfonyl-enanthic acid Formula: C43H52O8S2 MolecularWeight: 760.99818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCC(C(=O)O)S(=O)(=O)CCCC2=CC=CC=C2.C1=CC=C(C=C1)CCCCCC(C(=O)O)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCCCC(C(=O)O)S(=O)(=O)CCCC2=CC=CC=C2.C1=CC=C(C=C1)CCCCCC(C(=O)O)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H28O4S.C21H24O4S/c23-22(24)21(17-9-3-8-13-19-11-4-1-5-12-19)27(25,26)18-10-16-20-14-6-2-7-15-20;22-21(23)20(15-9-3-8-12-18-10-4-1-5-11-18)26(24,25)17-16-19-13-6-2-7-14-19/h1-2,4-7,11-12,14-15,21H,3,8-10,13,16-18H2,(H,23,24);1-2,4-7,10-11,13-14,16-17,20H,3,8-9,12,15H2,(H,22,23)/b;17-16+