sodium 3-methyl-7-propan-2-yl-azulene-1-sulfonate

Systemtic Name: sodium 3-methyl-7-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 7-isopropyl-3-methyl-azulene-1-sulfonate CAS Name: sodium 3-methyl-7-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-methyl-7-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 7-isopropyl-3-methyl-azulene-1-sulfonate Formula: C14H15NaO3S MolecularWeight: 286.32187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)[O-])C(C)C.[Na+]

Isomeric SMILES

CC1=C2C=CC=C(C=C2C(=C1)S(=O)(=O)[O-])C(C)C.[Na+]

InChI

InChI=1S/C14H16O3S.Na/c1-9(2)11-5-4-6-12-10(3)7-14(13(12)8-11)18(15,16)17;/h4-9H,1-3H3,(H,15,16,17);/q;+1/p-1