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

Systemtic Name: 4-octylnaphthalene-1,2,3-trisulfonic acid Openeye Name: 4-octylnaphthalene-1,2,3-trisulfonic acid CAS Name: 4-octylnaphthalene-1,2,3-trisulfonic acid IUPAC Name: 4-octylnaphthalene-1,2,3-trisulfonic acid Traditional Name: 4-octylnaphthalene-1,2,3-trisulfonic acid Formula: C18H24O9S3 MolecularWeight: 480.57276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H24O9S3/c1-2-3-4-5-6-7-11-14-13-10-8-9-12-15(13)17(29(22,23)24)18(30(25,26)27)16(14)28(19,20)21/h8-10,12H,2-7,11H2,1H3,(H,19,20,21)(H,22,23,24)(H,25,26,27)