sodium; 2-dodecylbenzenesulfonic acid; methanal; naphthalene-1-sulfonate

Systemtic Name: sodium; 2-dodecylbenzenesulfonic acid; methanal; naphthalene-1-sulfonate Openeye Name: sodium; 2-dodecylbenzenesulfonic acid; formaldehyde; naphthalene-1-sulfonate CAS Name: sodium; 2-dodecylbenzenesulfonic acid; formaldehyde; 1-naphthalenesulfonate IUPAC Name: sodium; 2-dodecylbenzenesulfonic acid; formaldehyde; naphthalene-1-sulfonate Traditional Name: sodium; formaldehyde; 2-laurylbesylic acid; naphthalene-1-sulfonate Formula: C29H39NaO7S2 MolecularWeight: 586.73553

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.C=O.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.C=O.C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H30O3S.C10H8O3S.CH2O.Na/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);1-7H,(H,11,12,13);1H2;/q;;;+1/p-1