2-[[2-[(3-methyl-4-oxidanyl-phenyl)sulfonyl-oxidanyl-methyl]phenyl]methyl]naphthalene-1-sulfonic acid

Systemtic Name: 2-[[2-[(3-methyl-4-oxidanyl-phenyl)sulfonyl-oxidanyl-methyl]phenyl]methyl]naphthalene-1-sulfonic acid Openeye Name: 2-[[2-[hydroxy-(4-hydroxy-3-methyl-phenyl)sulfonyl-methyl]phenyl]methyl]naphthalene-1-sulfonic acid CAS Name: 2-[[2-[hydroxy-(4-hydroxy-3-methylphenyl)sulfonylmethyl]phenyl]methyl]-1-naphthalenesulfonic acid IUPAC Name: 2-[[2-[hydroxy-(4-hydroxy-3-methylphenyl)sulfonylmethyl]phenyl]methyl]naphthalene-1-sulfonic acid Traditional Name: 2-[2-[hydroxy-(4-hydroxy-3-methyl-phenyl)sulfonyl-methyl]benzyl]naphthalene-1-sulfonic acid Formula: C25H22O7S2 MolecularWeight: 498.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C(C2=CC=CC=C2CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C(C2=CC=CC=C2CC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)O)O

InChI

InChI=1S/C25H22O7S2/c1-16-14-20(12-13-23(16)26)33(28,29)25(27)22-9-5-3-7-18(22)15-19-11-10-17-6-2-4-8-21(17)24(19)34(30,31)32/h2-14,25-27H,15H2,1H3,(H,30,31,32)