disodium 4-[(4-methyl-2-oxidanyl-5-sulfonato-phenyl)methyl]-3-oxidanyl-naphthalene-1-sulfonate

Systemtic Name: disodium 4-[(4-methyl-2-oxidanyl-5-sulfonato-phenyl)methyl]-3-oxidanyl-naphthalene-1-sulfonate Openeye Name: disodium 3-hydroxy-4-[(2-hydroxy-4-methyl-5-sulfonato-phenyl)methyl]naphthalene-1-sulfonate CAS Name: disodium 3-hydroxy-4-[(2-hydroxy-4-methyl-5-sulfonatophenyl)methyl]-1-naphthalenesulfonate IUPAC Name: disodium 3-hydroxy-4-[(2-hydroxy-4-methyl-5-sulfonatophenyl)methyl]naphthalene-1-sulfonate Traditional Name: disodium 3-hydroxy-4-(2-hydroxy-4-methyl-5-sulfonato-benzyl)naphthalene-1-sulfonate Formula: C18H14Na2O8S2 MolecularWeight: 468.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)[O-])CC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])O)O.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)[O-])CC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])O)O.[Na+].[Na+]

InChI

InChI=1S/C18H16O8S2.2Na/c1-10-6-15(19)11(8-17(10)27(21,22)23)7-14-12-4-2-3-5-13(12)18(9-16(14)20)28(24,25)26;;/h2-6,8-9,19-20H,7H2,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2