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

Systemtic Name: 4-(2-pentylnonyl)naphthalene-1,2,3-trisulfonic acid Openeye Name: 4-(2-pentylnonyl)naphthalene-1,2,3-trisulfonic acid CAS Name: 4-(2-pentylnonyl)naphthalene-1,2,3-trisulfonic acid IUPAC Name: 4-(2-pentylnonyl)naphthalene-1,2,3-trisulfonic acid Traditional Name: 4-(2-amylnonyl)naphthalene-1,2,3-trisulfonic acid Formula: C24H36O9S3 MolecularWeight: 564.73224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCC)CC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC(CCCCC)CC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H36O9S3/c1-3-5-7-8-10-14-18(13-9-6-4-2)17-21-19-15-11-12-16-20(19)22(34(25,26)27)24(36(31,32)33)23(21)35(28,29)30/h11-12,15-16,18H,3-10,13-14,17H2,1-2H3,(H,25,26,27)(H,28,29,30)(H,31,32,33)