6-methyl-5-oxidanyl-4-(3-sulfooxypropyl)naphthalene-2-sulfonic acid

Systemtic Name: 6-methyl-5-oxidanyl-4-(3-sulfooxypropyl)naphthalene-2-sulfonic acid Openeye Name: 5-hydroxy-6-methyl-4-(3-sulfooxypropyl)naphthalene-2-sulfonic acid CAS Name: 5-hydroxy-6-methyl-4-(3-sulfooxypropyl)-2-naphthalenesulfonic acid IUPAC Name: 5-hydroxy-6-methyl-4-(3-sulfooxypropyl)naphthalene-2-sulfonic acid Traditional Name: 5-hydroxy-6-methyl-4-(3-sulfoxypropyl)naphthalene-2-sulfonic acid Formula: C14H16O8S2 MolecularWeight: 376.40204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C(C=C2C=C1)S(=O)(=O)O)CCCOS(=O)(=O)O)O

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2C=C1)S(=O)(=O)O)CCCOS(=O)(=O)O)O

InChI

InChI=1S/C14H16O8S2/c1-9-4-5-11-8-12(23(16,17)18)7-10(13(11)14(9)15)3-2-6-22-24(19,20)21/h4-5,7-8,15H,2-3,6H2,1H3,(H,16,17,18)(H,19,20,21)