2-hexylnaphthalene-1-sulfonate; vanadium

Systemtic Name: 2-hexylnaphthalene-1-sulfonate; vanadium Openeye Name: 2-hexylnaphthalene-1-sulfonate; vanadium CAS Name: 2-hexyl-1-naphthalenesulfonate; vanadium IUPAC Name: 2-hexylnaphthalene-1-sulfonate; vanadium Traditional Name: 2-hexylnaphthalene-1-sulfonate; vanadium Formula: C80H95O15S5V-5 MolecularWeight: 1507.8678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].[V]

Isomeric SMILES

CCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CCCCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].[V]

InChI

InChI=1S/5C16H20O3S.V/c5*1-2-3-4-5-9-14-12-11-13-8-6-7-10-15(13)16(14)20(17,18)19;/h5*6-8,10-12H,2-5,9H2,1H3,(H,17,18,19);/p-5