6-methyl-4-(3-sulfooxypropyl)naphthalene-2-sulfonic acid

Systemtic Name: 6-methyl-4-(3-sulfooxypropyl)naphthalene-2-sulfonic acid Openeye Name: 6-methyl-4-(3-sulfooxypropyl)naphthalene-2-sulfonic acid CAS Name: 6-methyl-4-(3-sulfooxypropyl)-2-naphthalenesulfonic acid IUPAC Name: 6-methyl-4-(3-sulfooxypropyl)naphthalene-2-sulfonic acid Traditional Name: 6-methyl-4-(3-sulfoxypropyl)naphthalene-2-sulfonic acid Formula: C14H16O7S2 MolecularWeight: 360.40264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)CCCOS(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)CCCOS(=O)(=O)O

InChI

InChI=1S/C14H16O7S2/c1-10-4-5-12-9-13(22(15,16)17)8-11(14(12)7-10)3-2-6-21-23(18,19)20/h4-5,7-9H,2-3,6H2,1H3,(H,15,16,17)(H,18,19,20)