(E)-3-[(E)-pentadec-6-enyl]-2,2-disulfonato-henicos-12-enoate

Systemtic Name: (E)-3-[(E)-pentadec-6-enyl]-2,2-disulfonato-henicos-12-enoate Openeye Name: (E)-3-[(E)-pentadec-6-enyl]-2,2-disulfonato-henicos-12-enoate CAS Name: (E)-3-[(E)-pentadec-6-enyl]-2,2-disulfonato-12-heneicosenoate IUPAC Name: (E)-3-[(E)-pentadec-6-enyl]-2,2-disulfonatohenicos-12-enoate Traditional Name: (E)-3-[(E)-pentadec-6-enyl]-2,2-disulfonato-heneicos-12-enoate Formula: C36H65O8S2-3 MolecularWeight: 690.0265

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CCCCCC=CCCCCCCCC)C(C(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(CCCCC/C=C/CCCCCCCC)C(C(=O)[O-])(S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C36H68O8S2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-34(36(35(37)38,45(39,40)41)46(42,43)44)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,20,22,34H,3-16,19,21,23-33H2,1-2H3,(H,37,38)(H,39,40,41)(H,42,43,44)/p-3/b18-17+,22-20+