sodium [(4Z)-5-methyl-4-[(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-(2-sulfophenyl)methylidene]-2-propan-2-yl-cyclohexa-2,5-dien-1-ylidene]oxidanium

Systemtic Name: sodium [(4Z)-5-methyl-4-[(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-(2-sulfophenyl)methylidene]-2-propan-2-yl-cyclohexa-2,5-dien-1-ylidene]oxidanium Openeye Name: sodium [(4Z)-4-[(4-hydroxy-5-isopropyl-2-methyl-phenyl)-(2-sulfophenyl)methylene]-2-isopropyl-5-methyl-cyclohexa-2,5-dien-1-ylidene]oxonium CAS Name: sodium [(4Z)-4-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(2-sulfophenyl)methylidene]-5-methyl-2-propan-2-yl-1-cyclohexa-2,5-dienylidene]oxonium IUPAC Name: sodium [(4Z)-4-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(2-sulfophenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene]oxidanium Traditional Name: sodium [(4Z)-4-[(4-hydroxy-5-isopropyl-2-methyl-phenyl)-(2-sulfophenyl)methylene]-2-isopropyl-5-methyl-cyclohexa-2,5-dien-1-ylidene]oxonium Formula: C27H31NaO5S+2 MolecularWeight: 490.58681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=C2C=C(C(=[OH+])C=C2C)C(C)C)C3=CC=CC=C3S(=O)(=O)O)C(C)C)O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1/C(=C/2\C=C(C(=[OH+])C=C2C)C(C)C)/C3=CC=CC=C3S(=O)(=O)O)C(C)C)O.[Na+]

InChI

InChI=1S/C27H30O5S.Na/c1-15(2)20-13-22(17(5)11-24(20)28)27(19-9-7-8-10-26(19)33(30,31)32)23-14-21(16(3)4)25(29)12-18(23)6;/h7-16,28H,1-6H3,(H,30,31,32);/q;+1/p+1/b27-23+;