4-hexylnaphthalene-1,2,3-trisulfonic acid

Systemtic Name: 4-hexylnaphthalene-1,2,3-trisulfonic acid Openeye Name: 4-hexylnaphthalene-1,2,3-trisulfonic acid CAS Name: 4-hexylnaphthalene-1,2,3-trisulfonic acid IUPAC Name: 4-hexylnaphthalene-1,2,3-trisulfonic acid Traditional Name: 4-hexylnaphthalene-1,2,3-trisulfonic acid Formula: C16H20O9S3 MolecularWeight: 452.5196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H20O9S3/c1-2-3-4-5-9-12-11-8-6-7-10-13(11)15(27(20,21)22)16(28(23,24)25)14(12)26(17,18)19/h6-8,10H,2-5,9H2,1H3,(H,17,18,19)(H,20,21,22)(H,23,24,25)