2-methyl-5-(3-sulfooxypropyl)naphthalene-1-sulfonic acid

Systemtic Name: 2-methyl-5-(3-sulfooxypropyl)naphthalene-1-sulfonic acid Openeye Name: 2-methyl-5-(3-sulfooxypropyl)naphthalene-1-sulfonic acid CAS Name: 2-methyl-5-(3-sulfooxypropyl)-1-naphthalenesulfonic acid IUPAC Name: 2-methyl-5-(3-sulfooxypropyl)naphthalene-1-sulfonic acid Traditional Name: 2-methyl-5-(3-sulfoxypropyl)naphthalene-1-sulfonic acid Formula: C14H16O7S2 MolecularWeight: 360.40264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC=C2)CCCOS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC=C2)CCCOS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H16O7S2/c1-10-7-8-12-11(5-3-9-21-23(18,19)20)4-2-6-13(12)14(10)22(15,16)17/h2,4,6-8H,3,5,9H2,1H3,(H,15,16,17)(H,18,19,20)