4-(2-butyloctyl)naphthalene-1,2,3-trisulfonic acid

Systemtic Name: 4-(2-butyloctyl)naphthalene-1,2,3-trisulfonic acid Openeye Name: 4-(2-butyloctyl)naphthalene-1,2,3-trisulfonic acid CAS Name: 4-(2-butyloctyl)naphthalene-1,2,3-trisulfonic acid IUPAC Name: 4-(2-butyloctyl)naphthalene-1,2,3-trisulfonic acid Traditional Name: 4-(2-butyloctyl)naphthalene-1,2,3-trisulfonic acid Formula: C22H32O9S3 MolecularWeight: 536.67908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)CC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(CCCC)CC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H32O9S3/c1-3-5-7-8-12-16(11-6-4-2)15-19-17-13-9-10-14-18(17)20(32(23,24)25)22(34(29,30)31)21(19)33(26,27)28/h9-10,13-14,16H,3-8,11-12,15H2,1-2H3,(H,23,24,25)(H,26,27,28)(H,29,30,31)