5-[2-cyclotetradecyl-1-(6-sulfonaphthalen-1-yl)ethenyl]naphthalene-2-sulfonic acid

Systemtic Name: 5-[2-cyclotetradecyl-1-(6-sulfonaphthalen-1-yl)ethenyl]naphthalene-2-sulfonic acid Openeye Name: 5-[2-cyclotetradecyl-1-(6-sulfo-1-naphthyl)vinyl]naphthalene-2-sulfonic acid CAS Name: 5-[2-cyclotetradecyl-1-(6-sulfo-1-naphthalenyl)ethenyl]-2-naphthalenesulfonic acid IUPAC Name: 5-[2-cyclotetradecyl-1-(6-sulfonaphthalen-1-yl)ethenyl]naphthalene-2-sulfonic acid Traditional Name: 5-[2-cyclotetradecyl-1-(6-sulfo-1-naphthyl)vinyl]naphthalene-2-sulfonic acid Formula: C36H42O6S2 MolecularWeight: 634.84508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCCC(CCCCCC1)C=C(C2=CC=CC3=C2C=CC(=C3)S(=O)(=O)O)C4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

Isomeric SMILES

C1CCCCCCC(CCCCCC1)C=C(C2=CC=CC3=C2C=CC(=C3)S(=O)(=O)O)C4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C36H42O6S2/c37-43(38,39)30-20-22-32-28(25-30)16-12-18-34(32)36(24-27-14-10-8-6-4-2-1-3-5-7-9-11-15-27)35-19-13-17-29-26-31(44(40,41)42)21-23-33(29)35/h12-13,16-27H,1-11,14-15H2,(H,37,38,39)(H,40,41,42)