3-heptylnaphthalene-1,2-disulfonic acid

Systemtic Name: 3-heptylnaphthalene-1,2-disulfonic acid Openeye Name: 3-heptylnaphthalene-1,2-disulfonic acid CAS Name: 3-heptylnaphthalene-1,2-disulfonic acid IUPAC Name: 3-heptylnaphthalene-1,2-disulfonic acid Traditional Name: 3-heptylnaphthalene-1,2-disulfonic acid Formula: C17H22O6S2 MolecularWeight: 386.48298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H22O6S2/c1-2-3-4-5-6-10-14-12-13-9-7-8-11-15(13)17(25(21,22)23)16(14)24(18,19)20/h7-9,11-12H,2-6,10H2,1H3,(H,18,19,20)(H,21,22,23)