5-[4-(9,10-dihydrophenanthren-2-yl)-1-(6-sulfonaphthalen-1-yl)but-1-enyl]naphthalene-2-sulfonic acid

Systemtic Name: 5-[4-(9,10-dihydrophenanthren-2-yl)-1-(6-sulfonaphthalen-1-yl)but-1-enyl]naphthalene-2-sulfonic acid Openeye Name: 5-[4-(9,10-dihydrophenanthren-2-yl)-1-(6-sulfo-1-naphthyl)but-1-enyl]naphthalene-2-sulfonic acid CAS Name: 5-[4-(9,10-dihydrophenanthren-2-yl)-1-(6-sulfo-1-naphthalenyl)but-1-enyl]-2-naphthalenesulfonic acid IUPAC Name: 5-[4-(9,10-dihydrophenanthren-2-yl)-1-(6-sulfonaphthalen-1-yl)but-1-enyl]naphthalene-2-sulfonic acid Traditional Name: 5-[4-(9,10-dihydrophenanthren-2-yl)-1-(6-sulfo-1-naphthyl)but-1-enyl]naphthalene-2-sulfonic acid Formula: C38H30O6S2 MolecularWeight: 646.7712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)CCC=C(C3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)C5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O)C7=CC=CC=C71

Isomeric SMILES

C1CC2=C(C=CC(=C2)CCC=C(C3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)C5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O)C7=CC=CC=C71

InChI

InChI=1S/C38H30O6S2/c39-45(40,41)30-17-20-34-27(23-30)8-4-12-36(34)38(37-13-5-9-28-24-31(46(42,43)44)18-21-35(28)37)11-3-6-25-14-19-33-29(22-25)16-15-26-7-1-2-10-32(26)33/h1-2,4-5,7-14,17-24H,3,6,15-16H2,(H,39,40,41)(H,42,43,44)