3-(2-methylphenyl)carbonyloxynaphthalene-2,7-disulfonate

Systemtic Name: 3-(2-methylphenyl)carbonyloxynaphthalene-2,7-disulfonate Openeye Name: 3-(2-methylbenzoyl)oxynaphthalene-2,7-disulfonate CAS Name: 3-[(2-methylphenyl)-oxomethoxy]naphthalene-2,7-disulfonate IUPAC Name: 3-(2-methylbenzoyl)oxynaphthalene-2,7-disulfonate Traditional Name: 3-o-toluoyloxynaphthalene-2,7-disulfonate Formula: C18H12O8S2-2 MolecularWeight: 420.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=C(C=C3C=C(C=CC3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=C(C=C3C=C(C=CC3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C18H14O8S2/c1-11-4-2-3-5-15(11)18(19)26-16-9-12-6-7-14(27(20,21)22)8-13(12)10-17(16)28(23,24)25/h2-10H,1H3,(H,20,21,22)(H,23,24,25)/p-2