disodium; methanal; 3-methylphenol; naphthalene-1,6-disulfonate

Systemtic Name: disodium; methanal; 3-methylphenol; naphthalene-1,6-disulfonate Openeye Name: disodium; formaldehyde; m-cresol; naphthalene-1,6-disulfonate CAS Name: disodium; formaldehyde; 3-methylphenol; naphthalene-1,6-disulfonate IUPAC Name: disodium; formaldehyde; 3-methylphenol; naphthalene-1,6-disulfonate Traditional Name: disodium; formaldehyde; m-cresol; naphthalene-1,6-disulfonate Formula: C18H16Na2O8S2 MolecularWeight: 470.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)O.C=O.C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=CC=C1)O.C=O.C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H8O6S2.C7H8O.CH2O.2Na/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16;1-6-3-2-4-7(8)5-6;1-2;;/h1-6H,(H,11,12,13)(H,14,15,16);2-5,8H,1H3;1H2;;/q;;;2*+1/p-2