3,4-di(nonyl)-2-sulfo-naphthalene-1-carboxylic acid

Systemtic Name: 3,4-di(nonyl)-2-sulfo-naphthalene-1-carboxylic acid Openeye Name: 3,4-di(nonyl)-2-sulfo-naphthalene-1-carboxylic acid CAS Name: 3,4-di(nonyl)-2-sulfo-1-naphthalenecarboxylic acid IUPAC Name: 3,4-di(nonyl)-2-sulfonaphthalene-1-carboxylic acid Traditional Name: 3,4-di(nonyl)-2-sulfo-1-naphthoic acid Formula: C29H44O5S MolecularWeight: 504.72166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)C(=O)O)S(=O)(=O)O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)C(=O)O)S(=O)(=O)O)CCCCCCCCC

InChI

InChI=1S/C29H44O5S/c1-3-5-7-9-11-13-15-19-24-23-20-17-18-21-25(23)27(29(30)31)28(35(32,33)34)26(24)22-16-14-12-10-8-6-4-2/h17-18,20-21H,3-16,19,22H2,1-2H3,(H,30,31)(H,32,33,34)