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

Systemtic Name: 4-(2-ethylhexyl)naphthalene-1,2,3-trisulfonic acid Openeye Name: 4-(2-ethylhexyl)naphthalene-1,2,3-trisulfonic acid CAS Name: 4-(2-ethylhexyl)naphthalene-1,2,3-trisulfonic acid IUPAC Name: 4-(2-ethylhexyl)naphthalene-1,2,3-trisulfonic acid Traditional Name: 4-(2-ethylhexyl)naphthalene-1,2,3-trisulfonic acid Formula: C18H24O9S3 MolecularWeight: 480.57276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24O9S3/c1-3-5-8-12(4-2)11-15-13-9-6-7-10-14(13)16(28(19,20)21)18(30(25,26)27)17(15)29(22,23)24/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,19,20,21)(H,22,23,24)(H,25,26,27)